data_2k3s_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 2k3s _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.709 0 N-CA-C 111.901 -0.48 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p -58.42 -44.56 89.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.184 0.516 . . . . 0.0 110.831 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HZ3' ' CG ' ' B' ' 95' ' ' ASP . 4.9 ttmm -64.59 -25.03 67.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -70.97 -35.53 72.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.754 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.9 ttt -61.54 -50.65 71.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.807 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.8 mt -71.52 -29.31 64.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.933 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -59.99 -56.0 27.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.52 -34.94 79.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.7 t90 -60.12 -50.49 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.836 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 m -72.81 -36.12 67.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -63.74 -30.43 71.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.48 77.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.034 0.445 . . . . 0.0 110.211 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.4 mtt -82.67 -20.29 36.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.609 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -67.39 -23.96 65.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.318 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -76.38 -10.28 59.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.388 0.613 . . . . 0.0 110.458 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -106.96 15.47 25.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.232 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -138.45 164.57 29.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.45 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -127.54 158.57 37.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.844 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 68.76 7.12 5.94 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.442 0.639 . . . . 0.0 110.66 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.9 t -131.22 129.97 63.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.119 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -145.2 110.88 5.39 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.0 mt -91.06 95.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.613 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -86.43 -38.14 17.63 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -151.92 159.23 43.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.619 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -80.19 62.19 4.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.698 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -163.58 -86.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.275 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -59.49 -38.76 81.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.098 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -69.74 -10.09 57.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -105.75 3.82 29.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.876 0.369 . . . . 0.0 111.04 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.5 t -72.2 -18.61 61.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.801 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 p -75.2 -21.38 58.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.17 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.41 -41.7 2.52 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.304 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.9 mmm -52.54 -28.71 21.88 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.189 0.596 . . . . 0.0 112.085 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.01 74.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.546 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -66.1 -49.19 68.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.085 0.469 . . . . 0.0 110.401 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.2 m -63.18 -37.62 87.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.797 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.5 95.42 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.661 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.0 tp -66.17 -47.93 72.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.949 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.1 mm -62.55 -41.35 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.984 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -64.45 -29.3 70.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.482 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.06 -34.86 77.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.688 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -89.98 -36.52 14.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.899 0.38 . . . . 0.0 111.269 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -120.3 91.72 46.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -67.64 -26.76 39.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.788 2.325 . . . . 0.0 111.768 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -89.26 8.01 32.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.965 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.97 -55.79 5.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.82 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -164.21 172.39 13.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.266 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -96.91 108.8 21.58 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -66.2 -31.52 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.043 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.7 -18.68 62.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.881 0.372 . . . . 0.0 111.261 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -91.7 -4.73 54.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.26 0.553 . . . . 0.0 110.482 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.68 134.19 33.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.194 0.521 . . . . 0.0 111.773 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -111.36 146.9 35.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.928 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.9 -19.63 64.13 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 122.237 1.958 . . . . 0.0 110.917 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.54 -9.95 58.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.502 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -95.85 26.88 3.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.07 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -55.33 -32.71 62.73 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -37.13 82.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.664 0.268 . . . . 0.0 110.783 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -95.08 -23.09 17.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.763 0.316 . . . . 0.0 110.85 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -56.57 -53.55 56.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.568 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -60.78 -45.32 94.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 111.562 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -62.0 -42.18 98.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.772 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.7 tp -62.61 -47.11 85.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.544 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.43 -54.59 37.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.561 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -60.72 -54.18 48.35 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.5 m -59.13 -45.43 90.94 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.9 m -66.21 -39.71 89.83 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.231 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.91 -35.94 81.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.986 0.422 . . . . 0.0 110.509 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -78.23 -25.6 47.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.198 0.523 . . . . 0.0 110.564 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -79.86 -37.88 33.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.142 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.1 mt -103.94 -18.48 14.59 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.07 11.58 3.91 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 42.72 45.19 4.04 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.5 p -67.85 140.77 56.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.91 118.69 13.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.289 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -77.2 81.28 3.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.233 0.539 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.0 mt -85.96 -18.62 32.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.439 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.9 mt -114.59 160.62 19.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.262 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -125.82 153.94 43.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.765 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 t -66.7 -52.68 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.398 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -59.27 -45.1 92.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.974 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.43 -50.39 74.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.785 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.3 mtp -63.34 -42.44 98.95 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.15 -42.87 85.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.994 0.426 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.8 ttp-105 -64.51 -40.86 96.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.226 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.4 mt -83.06 -30.08 28.32 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.67 -51.83 0.7 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.269 0.628 . . . . 0.0 112.0 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.8 t -110.29 109.73 58.46 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -81.15 160.84 20.48 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.841 2.36 . . . . 0.0 112.093 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -77.57 140.07 39.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.14 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.2 m -61.53 -31.23 71.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.05 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -70.05 -38.53 75.85 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.961 0.41 . . . . 0.0 110.325 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 32.1 m -66.51 -44.68 81.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.115 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.98 -44.3 92.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.271 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.9 -49.94 74.05 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.8 m -61.79 -38.41 87.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.373 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -63.17 -48.92 76.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.942 0.401 . . . . 0.0 110.207 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.5 mm -69.78 -32.19 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.311 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -55.88 -61.96 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.042 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -34.3 77.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.6 tp -62.53 -49.04 76.91 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -56.66 -50.47 72.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.259 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -57.17 -44.09 83.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.057 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.0 m -63.89 -36.37 83.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.226 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.4 mt -72.59 -38.88 67.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.342 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.0 t -70.53 -42.32 78.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.555 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -66.84 -18.97 65.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.083 0.468 . . . . 0.0 111.696 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -99.68 8.36 44.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.092 0.473 . . . . 0.0 110.64 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.16 41.71 94.77 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.616 -0.72 . . . . 0.0 113.784 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 35.8 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.917 0.358 . . . . 0.0 111.928 179.483 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -64.05 -21.89 66.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.056 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 -60.03 -34.37 73.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.002 0.43 . . . . 0.0 110.294 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 48.9 mt -68.84 -42.33 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.755 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -65.62 -45.09 84.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.162 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -62.27 -35.64 79.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.269 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.64 -40.4 83.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.963 0.411 . . . . 0.0 110.391 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -81.42 -29.05 34.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.15 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -65.02 -25.6 67.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.824 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 94.0 t -68.53 -38.15 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -77.09 -44.75 29.42 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.804 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -76.95 94.72 3.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -80.21 15.56 1.51 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . 0.473 ' CG ' ' HZ3' ' A' ' 6' ' ' LYS . 3.7 m-20 -133.5 -27.43 1.54 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.833 0.349 . . . . 0.0 111.355 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.05 52.61 4.0 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -107.15 -33.72 7.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.665 0.269 . . . . 0.0 111.644 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.92 6.64 42.75 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.501 -0.856 . . . . 0.0 113.658 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -124.49 129.31 50.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.843 0.321 . . . . 0.0 111.163 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 pt -138.36 -171.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 5.1 p -92.97 159.94 15.1 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.06 -27.65 65.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.982 0.42 . . . . 0.0 110.426 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.51 -46.29 60.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.302 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.75 -34.78 77.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.261 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -58.28 -49.23 77.87 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.68 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -61.03 -35.62 77.38 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.741 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -66.44 -34.52 78.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.264 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 24.0 t -72.63 -41.81 62.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.964 0.412 . . . . 0.0 110.033 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.81 -41.23 90.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.072 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 3.2 p -78.14 -20.37 52.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.018 0.437 . . . . 0.0 110.939 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -76.35 -33.09 58.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.307 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.28 -14.76 63.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.347 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.67 31.22 54.68 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.084 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.59 152.94 37.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.752 0.31 . . . . 0.0 111.319 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -94.08 30.48 1.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -106.21 143.23 34.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.9 0.381 . . . . 0.0 110.828 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 17.3 p -81.74 163.68 22.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.278 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.56 -36.87 72.22 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.183 0.516 . . . . 0.0 110.004 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -57.62 -48.95 78.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.396 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -63.11 -36.8 84.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 61.6 t -61.73 -46.8 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.93 -31.53 72.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.043 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -61.3 -49.13 78.25 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 66.6 mtt -67.91 -38.49 83.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.048 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 8.7 mt -61.65 -40.69 87.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.83 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 5.3 mtm105 -69.5 -15.26 63.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.383 . . . . 0.0 111.217 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -104.72 18.48 22.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.245 0.545 . . . . 0.0 109.899 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -136.15 179.12 6.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.977 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -93.31 115.86 28.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 34.6 mm -125.7 -70.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.379 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -87.74 63.51 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.379 0.609 . . . . 0.0 110.717 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -138.1 -68.83 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.85 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -103.49 -27.61 12.27 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.58 -23.41 28.28 Favored Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.54 -0.838 . . . . 0.0 114.953 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -112.32 112.69 24.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.509 0.654 . . . . 0.0 111.283 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 39.4 t -94.1 124.6 46.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.083 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.02 115.47 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.677 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -73.54 -19.89 60.79 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.95 -38.7 73.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.161 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -62.1 -40.48 96.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.241 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -71.6 -38.75 70.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.21 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.4 -50.61 79.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.183 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -59.82 -46.08 90.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.924 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 37.1 ttm -59.41 -43.87 92.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.994 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 45.5 mtm -65.46 -38.24 89.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.801 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 38.2 p -74.73 -12.96 60.54 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.47 -24.1 18.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.134 0.492 . . . . 0.0 110.153 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.69 -0.671 . . . . 0.0 109.446 179.581 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.751 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -48.04 79.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.034 0.445 . . . . 0.0 110.654 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -65.67 -26.5 67.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.602 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.34 -32.6 74.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.573 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -60.01 -52.15 66.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.21 -40.7 86.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.49 -50.13 73.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.173 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.55 -45.2 95.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.002 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -63.11 -48.42 78.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t -65.24 -50.82 64.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.453 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -56.07 -32.18 63.86 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 -30.96 72.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.001 0.429 . . . . 0.0 110.817 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.9 mtm -93.37 -40.78 10.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.808 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -65.19 -23.38 67.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.095 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 ttm-85 -64.26 -20.44 66.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.076 0.465 . . . . 0.0 110.832 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -78.92 -19.48 51.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.892 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -94.05 103.71 15.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.664 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -62.42 148.37 45.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.195 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 76.82 -6.23 2.05 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.686 0.616 . . . . 0.0 111.452 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.57 78.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.048 0.451 . . . . 0.0 111.381 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.56 121.32 41.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.014 0.435 . . . . 0.0 110.48 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.6 mt -95.92 111.28 25.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.316 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -91.86 -50.01 5.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.349 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -153.46 169.94 21.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.473 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -80.51 63.34 4.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.925 0.393 . . . . 0.0 110.97 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 p -161.95 -87.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.737 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -62.03 -41.51 98.17 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -16.43 61.98 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -106.23 0.37 25.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.017 0.437 . . . . 0.0 110.781 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t -77.59 -13.88 59.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.592 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -17.11 45.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.281 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.9 -41.65 2.21 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 121.313 -0.47 . . . . 0.0 113.335 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.1 mmm -53.05 -25.77 13.72 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.31 93.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.702 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -65.55 -47.88 74.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.748 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 m -60.44 -36.62 78.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.582 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.55 -44.09 95.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.84 -41.8 91.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.989 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.82 -46.87 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -66.55 -27.83 68.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.266 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -60.97 -39.86 91.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -94.3 -34.97 12.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.65 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -116.75 100.85 53.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 111.384 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -69.37 -27.14 28.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 111.639 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -86.82 3.26 45.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.5 -65.05 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -170.99 171.42 5.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.317 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.12 118.33 26.44 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -76.41 -35.71 58.44 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.39 -19.67 62.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.926 0.393 . . . . 0.0 111.576 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -90.38 0.72 57.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.534 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.7 mt -87.55 156.05 19.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -128.21 136.19 28.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.255 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -64.35 -24.1 64.92 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.82 2.347 . . . . 0.0 111.198 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.04 -15.1 61.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.625 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -105.71 46.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.423 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -59.73 -36.93 77.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -61.17 -47.98 83.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.132 0.491 . . . . 0.0 110.463 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -71.67 -30.6 65.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.151 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.48 -52.69 63.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.33 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -59.48 -45.26 92.17 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 m -58.53 -49.36 77.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.787 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.6 -46.05 91.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.446 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.91 75.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.391 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -64.97 -47.58 77.09 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.7 p -59.89 -44.89 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 111.384 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.7 m -65.42 -40.99 94.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.782 0.325 . . . . 0.0 111.041 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.19 97.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.173 0.511 . . . . 0.0 110.208 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.66 -32.89 70.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.928 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -80.31 -39.29 28.99 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.5 mt -96.26 -30.55 13.39 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -177.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.21 -2.74 10.09 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 56.12 42.06 28.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.989 0.423 . . . . 0.0 111.839 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 60.1 m -67.31 139.71 57.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.455 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.39 148.2 48.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.818 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -79.89 88.08 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.622 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.2 mt -98.54 -10.5 23.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.327 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.0 mt -139.52 145.06 38.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.32 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -100.4 141.47 33.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.151 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.12 -55.96 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.025 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.14 -35.23 79.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.345 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.23 -42.6 93.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.901 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 31.1 mtp -63.41 -37.51 87.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.8 t -70.01 -38.75 76.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.05 0.453 . . . . 0.0 110.112 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -67.26 -52.86 35.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.46 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.84 -30.94 71.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.272 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.07 -64.7 0.38 Allowed 'General case' 0 N--CA 1.465 0.299 0 O-C-N 124.009 0.818 . . . . 0.0 110.57 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.0 t -95.34 115.34 65.36 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.28 161.08 46.91 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.424 2.083 . . . . 0.0 112.431 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.44 139.27 31.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.112 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -58.24 -39.8 80.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.976 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -64.18 -46.77 82.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.721 0.296 . . . . 0.0 111.582 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 43.5 m -59.2 -41.49 88.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.397 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.77 -42.9 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.099 0.476 . . . . 0.0 110.149 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -58.58 -53.21 60.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.849 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.1 t -65.02 -23.86 67.33 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -72.69 -50.57 23.99 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.962 0.411 . . . . 0.0 110.028 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 24.1 mm -72.63 -27.74 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.39 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -52.69 -62.51 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.492 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.12 -22.74 59.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.506 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.41 -38.47 91.28 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -61.49 -30.97 70.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.293 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -68.72 -21.21 64.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.486 0.66 . . . . 0.0 110.063 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 m -94.4 -0.74 54.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.312 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 43.1 mt -107.49 -40.93 5.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.021 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.56 -43.29 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.419 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -59.9 -31.26 69.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.198 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -80.71 -7.67 59.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.95 0.405 . . . . 0.0 110.892 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.56 22.47 77.89 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.618 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 88.7 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.017 0.437 . . . . 0.0 110.363 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.915 0.388 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 44.0 mp0 -54.06 -47.22 71.9 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.013 0.525 . . . . 0.0 112.193 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -61.67 -41.16 97.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.805 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.33 -45.87 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.399 . . . . 0.0 109.983 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -63.87 -40.74 97.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.825 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -38.34 87.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.68 90.61 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.503 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -67.49 -33.15 74.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.18 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -69.35 -22.79 63.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.187 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 60.4 t -66.56 -35.4 74.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.26 0.552 . . . . 0.0 109.761 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -79.41 -13.9 59.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -83.56 139.0 33.13 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -113.0 19.8 16.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.933 0.397 . . . . 0.0 111.167 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -148.32 -44.68 0.15 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.315 0.579 . . . . 0.0 110.959 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.3 57.81 0.63 Allowed Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -120.52 -27.47 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.786 0.327 . . . . 0.0 111.008 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.0 24.69 43.71 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.197 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -122.54 121.26 36.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.645 0.26 . . . . 0.0 110.646 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 19.1 pt -137.56 -174.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.602 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 57.5 p -112.69 179.6 3.93 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.584 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.53 -25.08 67.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.49 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.66 -50.75 68.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -71.07 -42.35 69.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.287 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 29.4 tp -54.26 -51.11 65.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.046 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -62.61 -28.17 69.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -80.45 -37.38 32.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.565 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.28 -43.82 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 110.255 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 51.3 mtt -56.9 -41.44 78.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.38 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.61 -34.55 58.37 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.417 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -67.19 -23.96 65.81 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.847 0.356 . . . . 0.0 111.245 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 82.2 mt -77.58 -9.0 58.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.127 0.489 . . . . 0.0 110.37 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.87 22.0 64.74 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.468 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -76.99 133.32 39.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 110.598 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -88.96 58.15 4.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.062 0.458 . . . . 0.0 110.727 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 12.2 tp -101.56 121.78 42.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.664 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.87 151.37 34.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.157 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.84 -35.72 64.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.915 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -61.23 -44.49 97.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.099 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -61.22 -43.44 98.87 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.19 0.519 . . . . 0.0 110.347 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 47.4 t -63.67 -44.78 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.037 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.57 -36.63 84.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.016 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -64.41 -39.25 93.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 59.7 mtt -64.77 -34.49 78.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.041 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.11 -28.49 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 121.268 0.556 . . . . 0.0 109.967 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -80.36 -32.64 37.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.641 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.85 -35.95 79.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.584 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.27 173.43 6.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.554 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -99.71 81.72 2.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.4 0.619 . . . . 0.0 110.471 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 57.4 mt -105.83 -79.68 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.059 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.2 129.48 40.02 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.96 0.41 . . . . 0.0 111.098 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.1 -5.6 78.6 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.572 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.6 -89.9 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.27 -0.172 . . . . 0.0 111.208 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -177.54 -114.92 0.42 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.11 -1.043 . . . . 0.0 113.943 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -79.95 157.29 26.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 111.991 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 6.5 t -125.35 129.48 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.542 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -93.69 119.53 32.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.099 0.476 . . . . 0.0 110.357 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -60.34 -24.3 64.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -57.57 -38.52 74.95 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -62.86 -38.53 91.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.943 0.402 . . . . 0.0 111.052 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -75.42 -36.94 60.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.957 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.25 -48.53 88.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.977 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -64.46 -40.01 94.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 43.2 ttm -65.92 -41.82 90.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.05 0.452 . . . . 0.0 110.789 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 66.6 mtm -65.89 -29.34 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.908 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 2.9 p -89.48 -3.43 58.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.145 0.498 . . . . 0.0 111.308 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -108.97 10.85 26.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.219 0.533 . . . . 0.0 110.409 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.169 179.694 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -65.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.807 0.337 . . . . 0.0 111.457 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -65.99 -9.53 31.07 Favored 'General case' 0 C--O 1.227 -0.086 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -60.15 -35.72 75.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 0.0 110.207 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.3 ttt -68.28 -45.91 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.248 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.4 mt -68.82 -34.96 76.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.962 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.34 -49.02 77.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.917 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.9 -42.21 98.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.891 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -58.73 -56.17 25.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.803 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.4 p -65.74 -34.63 78.63 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.7 -43.37 93.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.121 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.33 -35.7 68.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.953 0.406 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 54.0 tpp -67.02 -50.75 61.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.011 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.34 8.86 19.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.544 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -68.42 -24.36 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.088 0.47 . . . . 0.0 110.532 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -91.0 7.56 39.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.364 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -110.79 122.42 47.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.394 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.79 154.49 25.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.357 -179.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.3 t60 71.28 6.97 5.97 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.245 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.0 t -126.46 118.36 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.096 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -134.0 114.6 13.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.371 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.2 mt -93.47 93.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.145 0.497 . . . . 0.0 110.929 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -87.87 -36.46 17.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.392 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -164.23 160.61 21.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.752 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -80.55 64.28 5.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.949 0.404 . . . . 0.0 111.983 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 p -158.06 -80.2 0.07 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.4 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -41.15 92.87 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 m -67.09 -14.66 63.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.889 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -108.68 5.12 24.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.775 0.321 . . . . 0.0 111.325 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -31.9 63.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.897 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -32.07 57.94 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.911 179.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.95 -20.31 33.32 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.563 -0.744 . . . . 0.0 113.091 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.8 mtp -60.82 -30.32 70.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.732 0.301 . . . . 0.0 111.7 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.95 74.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.38 -51.12 64.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.949 0.404 . . . . 0.0 110.369 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.22 -37.81 86.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.573 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.07 -45.59 92.84 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.037 0.446 . . . . 0.0 110.736 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.5 tp -66.75 -44.75 80.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.5 mm -63.27 -42.81 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.967 0.413 . . . . 0.0 111.02 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -67.58 -23.49 65.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.478 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -63.34 -38.71 92.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.998 0.428 . . . . 0.0 110.068 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -94.31 -36.25 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.343 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -111.55 97.69 37.63 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 120.843 0.354 . . . . 0.0 110.809 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -70.45 -33.99 13.05 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.897 2.398 . . . . 0.0 112.05 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -86.29 12.55 9.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.006 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.37 -61.93 1.74 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.817 0.341 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -167.45 156.94 10.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.251 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -87.41 123.84 32.78 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -67.44 -23.82 65.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.755 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.18 -13.39 59.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.883 0.373 . . . . 0.0 110.99 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -98.91 9.31 43.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.472 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.0 mt -111.29 121.54 45.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.152 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.14 148.01 37.45 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.259 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.28 -20.25 70.15 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.939 2.426 . . . . 0.0 112.203 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.33 -12.43 60.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -109.95 40.93 1.81 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.155 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -56.5 -32.18 64.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.057 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -66.07 -52.64 47.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -71.84 -22.01 61.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.062 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -64.15 -49.94 70.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.168 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -64.23 -43.82 93.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.607 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -48.17 82.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.675 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.6 tp -58.53 -46.48 86.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.347 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.13 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.959 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -60.23 -44.89 94.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.8 t -60.85 -36.63 79.62 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.8 m -79.48 -36.85 38.05 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 120.94 0.4 . . . . 0.0 110.734 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.457 ' C ' ' H ' ' A' ' 73' ' ' LYS . . . -63.69 -50.45 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -78.97 25.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.326 0.584 . . . . 0.0 110.746 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 71' ' ' ALA . 19.6 tttp -127.05 -53.28 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.577 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.3 mt -87.61 -20.23 26.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.869 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.42 -36.26 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 69.98 75.42 0.22 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.535 0.522 . . . . 0.0 110.799 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.3 m -95.52 -168.51 1.79 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.798 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.66 125.0 48.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.469 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.92 73.58 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.664 0.745 . . . . 0.0 111.641 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 mt -85.3 -4.22 59.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.469 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.9 mt -140.1 135.15 32.26 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.469 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -95.83 144.35 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.1 t -61.08 -49.58 84.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.077 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.03 -42.47 97.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.541 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -59.58 -51.31 70.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.023 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 74.6 mtp -60.83 -40.84 94.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.035 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.65 -39.84 69.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.906 0.384 . . . . 0.0 110.506 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -65.51 -48.58 72.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.85 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.4 mt -79.01 -23.69 44.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.675 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.06 -54.63 0.69 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.409 0.683 . . . . 0.0 112.091 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.09 112.98 64.03 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -77.22 -176.96 3.48 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.512 2.142 . . . . 0.0 111.741 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -104.26 127.42 51.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.688 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.4 t -56.58 -29.14 61.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.544 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -64.41 -35.81 82.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.0 m -77.78 -38.99 45.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.95 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.55 -41.52 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.355 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -55.93 -43.53 77.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.055 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -44.17 96.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.67 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -63.37 -41.95 98.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.575 0.226 . . . . 0.0 111.345 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.4 mm -64.77 -38.14 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.033 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -43.0 97.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.521 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -64.93 -44.78 88.37 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.09 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 47.5 tp -62.81 -43.88 97.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.693 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -56.46 -41.27 76.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.006 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -58.42 -45.56 88.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.032 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.0 m -65.55 -30.8 71.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.23 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.8 mt -71.1 -37.65 72.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.981 0.42 . . . . 0.0 110.811 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.62 -51.6 49.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.401 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -36.45 81.13 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -71.49 -32.43 68.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.993 0.425 . . . . 0.0 110.221 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.79 16.18 43.03 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.446 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--N 1.332 -0.183 0 CA-C-O 121.117 0.484 . . . . 0.0 111.093 -179.688 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.251 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -62.42 -27.38 69.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.876 0.37 . . . . 0.0 111.364 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' B' ' 84' ' ' GLU . 25.2 mp0 -65.95 -42.29 90.15 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 28.7 mt -67.4 -40.76 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.41 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -63.23 -39.95 96.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.973 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.54 -44.56 90.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.703 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.51 -42.48 87.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.021 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -67.77 -35.68 79.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.092 0.472 . . . . 0.0 110.553 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -22.08 66.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.438 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 83.4 t -65.3 -33.84 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.41 0.624 . . . . 0.0 109.497 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -85.58 -39.07 17.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.34 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -80.3 84.99 5.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -90.31 28.29 1.48 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.161 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.78 -37.21 2.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.93 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.59 42.96 5.31 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.909 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.16 -12.78 11.18 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.706 -0.291 . . . . 0.0 111.527 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.44 -1.47 85.95 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.211 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -105.11 124.85 50.23 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 28.9 pt -135.77 173.1 14.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.519 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -81.27 151.45 28.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.84 94.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.393 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.38 89.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.547 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -69.14 -40.16 78.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.23 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 4.3 tp -56.43 -47.03 79.91 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.868 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -62.46 -34.31 76.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.042 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -67.05 -35.12 79.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.877 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.81 -46.59 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.433 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 49.3 mtt -57.33 -44.12 83.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.951 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.51 -36.65 68.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.238 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -64.99 -40.6 95.21 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.18 -29.47 67.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.295 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.14 22.61 12.72 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.254 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -62.39 139.43 58.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.664 0.269 . . . . 0.0 110.451 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -79.0 -2.77 41.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.679 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.66 124.4 20.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.17 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 7.4 p -79.34 161.38 26.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.196 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.37 -38.76 66.49 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -62.2 -44.05 97.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.86 0.362 . . . . 0.0 110.534 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.99 -40.5 91.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.241 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 62.5 t -66.05 -46.51 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.058 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -59.58 -39.72 85.02 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.267 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -62.68 -33.86 75.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.863 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 55.6 mtt -70.18 -35.99 74.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.106 0.479 . . . . 0.0 110.004 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 80.1 mt -64.86 -33.67 65.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 29.9 mtt180 -76.48 -11.75 59.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.967 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -89.62 -30.15 18.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.585 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -100.42 160.15 14.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.242 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -82.51 88.52 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.388 0.614 . . . . 0.0 110.781 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 10.9 mt -121.67 -62.84 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.222 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.17 121.94 15.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.483 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 96.41 -7.41 66.19 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.721 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.87 -79.65 0.59 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.687 0.28 . . . . 0.0 111.157 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 161.44 -135.58 4.01 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.514 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -66.63 151.21 47.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.872 0.367 . . . . 0.0 111.163 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 7.1 m -126.92 159.21 37.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.72 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -88.28 126.26 35.08 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.059 0.456 . . . . 0.0 110.379 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -69.37 -15.88 63.4 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -58.91 -40.81 85.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.375 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -63.58 -41.42 98.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.13 0.49 . . . . 0.0 110.623 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -67.09 -38.45 85.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.099 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.41 -48.0 90.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -55.79 -48.43 75.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 53.0 ttp -63.05 -39.73 95.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.689 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 60.4 mtm -63.5 -41.39 98.54 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.2 p -77.79 -33.56 52.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.744 0.306 . . . . 0.0 111.509 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.51 -50.33 52.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.776 -179.696 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.607 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 p -55.12 -60.14 3.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.914 0.388 . . . . 0.0 112.017 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -59.84 -37.2 78.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.453 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -66.72 -48.99 67.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 ttp -61.11 -42.49 98.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.74 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.3 mt -63.42 -41.24 98.71 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.99 -45.9 90.23 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.168 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.43 -45.48 90.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.309 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -59.47 -48.0 83.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.275 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.4 m -61.06 -54.48 44.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.944 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -56.24 -38.75 71.52 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.138 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.45 -34.45 68.99 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 ptp -109.06 10.36 26.12 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m -120.76 -14.07 8.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.229 0.537 . . . . 0.0 110.544 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.6 ptm85 -65.88 -18.05 65.07 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.17 0.51 . . . . 0.0 110.983 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -78.71 -16.17 57.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.297 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -89.4 111.47 22.34 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.03 145.88 44.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.823 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 79.45 -15.62 0.74 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.437 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -103.52 104.7 17.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.29 0.567 . . . . 0.0 111.981 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -120.44 103.39 9.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.698 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.5 mt -83.38 100.05 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.054 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -110.68 -10.98 14.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.997 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -149.66 -178.75 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.009 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -113.33 36.03 3.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.955 0.407 . . . . 0.0 110.192 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 p -149.7 -76.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.733 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.28 -40.64 71.27 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -8.63 55.62 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -110.33 4.53 20.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.635 0.255 . . . . 0.0 111.071 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.7 m -67.2 -26.52 66.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.06 0.457 . . . . 0.0 111.425 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.4 p -83.47 -25.81 30.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.102 0.477 . . . . 0.0 110.143 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.36 -4.33 68.37 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.816 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.6 mmm -68.05 -24.04 65.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.378 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.05 -31.46 62.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -67.05 -52.56 40.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 p -66.77 -31.53 72.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.48 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.2 87.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.466 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 tp -63.36 -43.01 98.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.2 mm -64.71 -42.2 94.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.92 0.391 . . . . 0.0 110.322 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -64.1 -32.31 73.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.78 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -68.36 -34.75 76.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.283 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -79.91 -48.15 13.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -123.59 105.42 33.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.008 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.52 -14.07 18.1 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.613 2.209 . . . . 0.0 112.34 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -94.19 13.12 24.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.427 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.63 -72.49 0.44 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.131 0.491 . . . . 0.0 110.521 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -151.51 156.93 41.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.65 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -83.59 128.83 34.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.988 0.423 . . . . 0.0 110.726 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -81.64 -22.82 37.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.652 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.08 -23.2 63.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 0.0 111.137 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.18 7.61 43.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.215 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.77 98.18 10.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.318 0.58 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -86.0 133.98 40.01 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.481 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -58.21 -21.88 54.11 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.404 2.736 . . . . 0.0 114.091 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.19 -10.85 59.67 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.95 -0.469 . . . . 0.0 110.772 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -98.61 28.58 4.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.26 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -47.29 -46.07 24.64 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -58.86 -49.17 78.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -38.56 82.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.197 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -60.08 -52.29 65.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.3 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -56.96 -44.08 82.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.429 . . . . 0.0 110.516 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.5 m -63.0 -50.94 68.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.63 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.87 -42.21 84.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.688 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.2 -49.9 75.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.741 0.305 . . . . 0.0 111.439 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -70.52 -48.06 57.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.619 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.1 m -54.82 -42.78 72.28 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.9 m -61.17 -41.87 97.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.96 0.41 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.4 92.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.544 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -67.75 -50.16 58.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.972 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -63.04 -22.42 66.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.4 mt -101.35 -48.91 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.93 5.46 4.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.7 t70 52.39 74.69 0.26 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.505 0.669 . . . . 0.0 111.492 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.86 155.01 28.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.84 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.8 123.2 19.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.29 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -77.8 67.44 3.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.24 0.543 . . . . 0.0 110.759 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.9 mt -84.77 -2.35 57.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.642 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.6 mt -135.55 141.72 45.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.253 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -104.2 133.47 49.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.498 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.68 -60.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.733 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.61 -40.45 79.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.211 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -61.29 -48.82 79.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.312 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 68.0 mtp -62.91 -40.95 99.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.937 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.84 -41.65 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.741 0.305 . . . . 0.0 110.586 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -67.93 -42.07 81.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.703 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.32 -37.63 63.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 74.53 -41.08 0.46 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.66 0.784 . . . . 0.0 111.897 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.1 t -103.56 104.74 43.64 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.08 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -72.08 152.33 56.61 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.86 2.374 . . . . 0.0 110.93 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.24 137.45 37.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.949 0.404 . . . . 0.0 111.317 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 t -57.99 -36.92 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.208 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -77.63 -45.44 25.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.676 0.274 . . . . 0.0 111.596 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.5 m -57.59 -44.86 85.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.536 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.96 -44.35 92.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.77 0.319 . . . . 0.0 110.225 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -57.13 -44.16 83.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.151 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.6 m -61.1 -41.6 96.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.53 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -65.17 -47.25 77.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.523 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 51.5 mm -65.34 -38.09 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.739 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -53.7 -57.86 9.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.79 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -69.43 -28.45 66.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 57.4 tp -67.26 -30.89 70.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.216 0.531 . . . . 0.0 109.697 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -67.92 -34.12 76.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.8 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -29.44 70.39 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.955 0.407 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.1 m -62.9 -28.99 70.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.204 0.526 . . . . 0.0 110.254 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.5 mt -82.05 -39.19 23.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.497 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.76 -43.11 90.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -60.08 -37.17 79.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.546 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -83.4 -7.57 59.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.946 0.403 . . . . 0.0 110.743 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.97 26.92 69.81 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.224 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.168 0.508 . . . . 0.0 111.194 -179.315 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 121.153 0.501 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -56.81 -33.45 66.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.874 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.61 -35.35 79.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.094 0.473 . . . . 0.0 110.453 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.22 -41.42 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.525 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -62.6 -44.93 95.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.975 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -64.18 -31.21 72.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.344 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.34 -37.11 86.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.994 0.426 . . . . 0.0 109.965 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -67.64 -32.64 73.47 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.411 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -69.84 -21.09 63.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.539 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -73.75 -30.61 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.536 0.684 . . . . 0.0 109.189 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -81.98 -38.85 24.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.369 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -66.44 134.94 53.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -85.76 -11.99 52.17 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -125.96 -35.09 2.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.092 0.472 . . . . 0.0 111.297 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.66 56.37 1.17 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -106.36 -26.56 11.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.1 -0.98 47.45 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.598 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -111.45 117.68 33.71 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 14.7 pt -127.59 179.15 3.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.048 0.451 . . . . 0.0 111.487 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 74.9 p -86.06 169.15 13.43 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.064 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.3 -30.65 66.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.97 -51.3 48.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.97 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -59.52 -46.38 89.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.134 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 10.0 tp -55.07 -53.89 50.06 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.652 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -59.69 -37.41 78.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.787 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -64.18 -34.13 77.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.552 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 47.2 t -68.32 -43.97 84.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 85.6 mtp -58.62 -44.55 89.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.942 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.91 -31.86 64.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 111.173 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -72.14 -24.66 61.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.616 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -75.09 -15.71 60.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.91 25.33 38.24 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.206 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -74.36 118.34 17.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.65 0.262 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -77.67 48.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.837 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 tp -94.49 144.09 25.86 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 63.1 p -74.41 149.88 40.26 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.03 -25.25 67.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.371 0.605 . . . . 0.0 110.061 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -64.87 -46.34 82.24 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.776 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -64.8 -33.63 76.44 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 121.09 0.472 . . . . 0.0 110.321 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.98 -42.16 94.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.18 -41.25 92.48 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.095 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.28 -43.75 98.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.255 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.74 -39.74 95.05 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.681 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.32 -35.08 67.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.041 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -77.25 -16.46 59.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.669 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -78.77 -46.17 19.43 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.53 165.87 23.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.071 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -104.72 78.53 1.45 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.064 0.459 . . . . 0.0 110.269 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 4.5 mt -105.96 -64.08 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.58 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.66 124.35 20.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.183 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.79 8.21 76.83 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.045 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -135.31 -68.94 0.51 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 164.1 -154.07 24.75 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.157 -1.021 . . . . 0.0 112.896 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -70.48 154.13 42.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.779 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 2.7 m -120.75 167.32 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -99.4 141.52 32.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.72 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -69.66 -21.32 63.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.669 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -51.96 -43.14 63.41 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.42 -47.33 50.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.427 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -60.77 -37.52 82.15 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.98 -48.8 86.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -68.36 -26.4 65.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.875 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 66.2 mtp -69.38 -37.54 77.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.071 0.462 . . . . 0.0 110.282 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 16.0 ptp -84.94 -24.06 28.53 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 19.0 p -79.59 -22.67 43.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.699 0.285 . . . . 0.0 111.305 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -91.15 13.46 16.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.061 0.457 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 mttm . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.764 179.76 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.628 0 N-CA-C 114.444 0.538 . . . . 0.0 114.444 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -47.66 85.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.091 0.472 . . . . 0.0 110.28 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -69.79 -31.56 69.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.748 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -64.86 -35.41 81.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.2 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.6 tpt -63.36 -46.52 86.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.559 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.5 mt -68.63 -34.09 75.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.925 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.2 -45.29 93.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.485 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.19 -40.27 86.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.118 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -60.92 -46.49 90.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.621 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 t -67.67 -46.67 71.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.093 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -67.42 -8.78 35.84 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.67 -19.26 22.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.1 mtm -105.06 -54.5 2.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.431 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.35 -3.52 14.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.019 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.1 ttm-85 -70.72 -24.4 62.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 110.093 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.29 -8.11 58.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.255 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -92.45 134.92 34.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.934 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -83.34 150.91 25.82 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.594 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 68.7 20.58 8.14 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.952 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -128.28 95.19 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 111.526 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -103.31 109.81 21.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.117 0.484 . . . . 0.0 110.168 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.4 mt -87.16 84.92 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.11 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -80.17 -57.68 3.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.635 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -135.06 -166.88 1.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.717 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -99.66 16.56 23.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.655 0.264 . . . . 0.0 111.575 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.6 m -133.72 -70.77 0.52 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.17 -44.59 71.63 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -18.58 64.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -100.24 1.33 41.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.932 0.396 . . . . 0.0 111.238 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 t -72.33 -21.69 61.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 p -79.14 -21.67 46.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.342 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.4 -29.22 4.04 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.455 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.1 mmt -56.54 -33.52 66.16 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.53 75.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.769 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -69.98 -47.23 63.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.918 0.389 . . . . 0.0 110.428 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.0 m -59.88 -44.76 94.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.434 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.51 96.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.5 tp -63.3 -50.58 69.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.932 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.9 mm -63.02 -38.21 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.035 0.445 . . . . 0.0 110.404 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.27 -25.63 67.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.185 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -71.16 -33.44 70.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.003 0.43 . . . . 0.0 110.165 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -84.24 -44.21 14.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.35 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -122.04 105.11 37.7 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.21 -11.64 29.07 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.756 2.304 . . . . 0.0 112.17 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -103.4 10.33 37.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.55 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.17 3.49 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.928 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -167.17 154.59 8.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.88 93.82 2.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.235 0.541 . . . . 0.0 110.568 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -62.63 -35.35 79.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.558 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.47 -11.23 59.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.853 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -106.93 7.33 29.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.107 0.48 . . . . 0.0 111.035 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -87.51 153.06 21.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -129.93 142.79 46.6 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.435 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -63.2 -21.16 72.17 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.872 2.381 . . . . 0.0 111.447 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.52 -13.15 60.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.471 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -107.37 38.67 2.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.175 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -52.89 -39.78 62.97 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -63.58 -45.22 91.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.932 0.396 . . . . 0.0 110.457 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -70.82 -31.19 67.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.39 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.89 -54.61 44.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.035 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -61.97 -46.27 89.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.651 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.7 m -58.03 -49.67 76.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.66 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.2 tp -61.99 -43.55 98.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.244 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.38 -51.65 64.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.518 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -63.88 -42.25 97.53 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.0 p -63.78 -44.78 92.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.663 0.268 . . . . 0.0 111.485 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.6 m -66.53 -42.67 86.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.361 . . . . 0.0 110.737 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.78 80.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -79.04 -32.96 45.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.373 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -75.69 -35.61 60.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 99.2 mt -97.33 -48.33 5.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.43 -10.07 20.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.61 61.45 1.97 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.015 0.436 . . . . 0.0 110.526 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.5 m -83.1 153.3 24.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.109 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.45 136.46 46.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.667 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -77.72 64.23 2.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.054 0.454 . . . . 0.0 110.938 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.5 mt -82.94 -21.46 34.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.647 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.7 mt -118.37 139.67 51.01 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.897 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -114.17 131.39 56.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.422 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.1 t -54.75 -54.99 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.099 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.66 -39.45 70.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -75.15 -41.42 58.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 88.8 mtp -63.7 -40.43 96.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.698 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.39 -35.15 61.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.1 0.476 . . . . 0.0 110.149 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -68.12 -52.11 38.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.695 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.1 mt -70.34 -25.58 63.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.38 -58.74 0.58 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.582 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.7 t -97.61 112.6 61.79 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.884 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.49 144.3 32.07 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.841 2.361 . . . . 0.0 112.122 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -69.08 130.38 42.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.227 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -35.5 71.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -66.74 -42.96 85.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.964 0.411 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 43.8 m -63.02 -39.08 93.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.458 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.14 -43.12 95.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.367 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -58.87 -51.94 67.86 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.527 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.3 m -60.91 -36.65 79.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 111.279 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -62.46 -47.19 85.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.659 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 38.3 mm -75.11 -28.92 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.422 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -53.3 -61.4 2.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.62 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.42 -28.64 63.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.353 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.2 tp -63.98 -46.92 82.48 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -58.4 -44.98 89.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.315 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -33.53 72.7 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.189 0.519 . . . . 0.0 111.077 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.4 m -76.21 -28.96 57.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.467 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 39.6 mt -76.48 -32.14 58.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.27 -48.79 71.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.421 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -70.96 -5.3 29.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.608 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -100.69 -2.81 31.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.811 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.51 17.51 76.38 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.298 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.1 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 120.649 0.261 . . . . 0.0 111.077 -179.473 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 121.108 0.48 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -57.84 -41.45 82.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.119 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -60.09 -40.78 90.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.622 0.248 . . . . 0.0 111.549 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 88.7 mt -66.38 -44.36 90.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -64.88 -35.28 80.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.339 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.98 -41.72 99.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.011 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.6 94.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.379 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -66.44 -34.8 78.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.484 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -65.31 -22.42 66.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.268 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 60.0 t -69.62 -38.03 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.423 . . . . 0.0 109.866 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -70.52 -30.52 67.31 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.157 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -72.97 125.39 27.49 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.03 16.41 7.11 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -151.66 -51.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.429 . . . . 0.0 111.66 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.15 58.9 0.26 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -113.27 -27.93 7.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.936 0.398 . . . . 0.0 110.245 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.33 18.71 52.26 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -113.89 123.23 49.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.373 . . . . 0.0 110.173 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.2 pt -138.47 159.34 31.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.325 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.4 178.48 5.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.785 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.56 71.22 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.53 0.566 . . . . 0.0 112.53 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.55 -54.45 35.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.802 0.334 . . . . 0.0 111.281 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.31 -48.23 76.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.648 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.34 -51.03 63.75 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.704 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -60.36 -36.38 77.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.991 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -69.3 -30.26 68.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.49 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 44.8 t -66.68 -42.64 89.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.963 0.411 . . . . 0.0 110.121 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 80.9 mtp -58.61 -48.57 80.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.276 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -28.47 63.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.331 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -70.34 -40.08 74.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.67 -26.11 67.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.201 0.524 . . . . 0.0 110.546 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.98 13.29 27.63 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.108 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -67.66 117.41 9.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.019 0.438 . . . . 0.0 110.026 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -80.54 65.57 5.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.678 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 tp -107.79 124.85 50.66 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.41 146.21 49.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.129 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.81 -35.86 64.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.42 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -60.66 -39.9 90.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.447 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -70.24 -43.31 70.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.445 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 46.6 t -60.24 -50.96 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.476 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.86 -37.76 85.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.183 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.52 -42.92 98.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.054 0.454 . . . . 0.0 110.279 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -43.44 92.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.632 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 98.8 mt -64.39 -30.09 49.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.272 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -68.61 -26.3 65.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.513 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.4 -30.46 57.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.61 157.26 19.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.886 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -104.49 95.52 5.98 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.558 0.694 . . . . 0.0 111.598 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 50.3 mt -117.18 -57.83 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -67.29 102.84 1.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 111.512 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 120.48 -3.96 12.19 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.402 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -126.68 -73.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 167.13 -163.08 36.84 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.175 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -64.01 156.31 28.43 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.852 0.358 . . . . 0.0 111.225 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 16.6 m -125.91 169.61 17.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.878 0.37 . . . . 0.0 111.257 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -101.33 140.34 35.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.286 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -65.79 -23.18 66.65 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.78 -34.78 75.01 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -58.93 -38.4 78.89 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.188 0.518 . . . . 0.0 110.441 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -71.14 -35.55 71.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.314 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.94 -42.13 93.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.879 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -61.05 -40.33 93.21 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.24 0.543 . . . . 0.0 110.141 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 3.0 ttm -68.05 -42.48 80.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 67.3 mtm -64.35 -30.4 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.874 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.1 p -85.09 -19.03 32.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.8 0.333 . . . . 0.0 111.436 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -90.5 -15.89 29.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.591 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.669 -0.681 . . . . 0.0 109.937 179.768 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.821 0 N-CA-C 112.896 -0.082 . . . . 0.0 112.896 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -63.29 -23.96 67.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.371 0.605 . . . . 0.0 110.48 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.36 -32.5 72.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.686 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -69.49 -27.8 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.9 tpt -65.6 -50.86 63.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.601 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.91 -36.49 82.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.258 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.56 -46.78 88.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.536 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -66.15 -40.21 90.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.531 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -65.1 -47.89 75.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.8 -43.83 87.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.584 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -62.51 -35.16 78.51 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.017 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.34 -34.94 78.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.603 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.6 mmt -73.3 -39.83 65.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.381 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -77.9 -7.79 57.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -66.46 -25.66 66.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.842 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -87.7 11.56 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.172 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -119.94 157.79 28.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.091 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -111.58 153.22 26.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 67.84 7.18 5.56 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.579 0.549 . . . . 0.0 111.83 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.9 t -131.68 114.09 24.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.071 0.462 . . . . 0.0 111.141 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -138.08 106.22 5.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.455 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.4 mt -74.47 95.68 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.371 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -91.34 -44.62 9.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.039 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -124.51 144.62 50.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.404 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.98 34.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 0.0 111.907 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.9 m -153.38 -67.29 0.15 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.807 0.337 . . . . 0.0 110.836 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -38.69 92.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 m -73.95 -3.6 30.06 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -109.33 -0.29 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.615 0.245 . . . . 0.0 111.289 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -69.71 -10.95 60.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.896 0.379 . . . . 0.0 111.961 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 p -87.24 -24.25 24.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.072 0.463 . . . . 0.0 111.03 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.39 -30.85 3.0 Favored Glycine 0 C--O 1.229 -0.194 0 CA-C-N 116.098 -0.501 . . . . 0.0 113.249 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.9 mmm -57.68 -26.38 61.61 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.78 -39.31 80.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.768 0.318 . . . . 0.0 111.718 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -65.19 -48.2 74.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.014 0.435 . . . . 0.0 110.181 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -39.77 93.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.298 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.36 92.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.35 -44.29 88.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.233 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.7 mm -64.52 -43.95 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.066 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -64.58 -27.78 69.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.364 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -63.19 -39.89 95.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.124 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -95.66 -35.74 11.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -114.19 96.57 42.82 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.802 0.334 . . . . 0.0 111.45 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -72.8 -16.74 26.21 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.903 2.402 . . . . 0.0 111.292 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.67 -10.06 47.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.806 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.03 -67.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.01 0.433 . . . . 0.0 111.315 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -167.08 158.75 12.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.701 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -86.58 126.24 34.35 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.924 0.392 . . . . 0.0 110.209 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -71.87 -23.34 61.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.292 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.16 -25.03 51.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.801 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -82.95 -25.12 32.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.334 0.588 . . . . 0.0 110.45 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.7 141.25 53.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -131.2 138.2 32.34 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.772 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.49 -28.64 65.35 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.687 2.925 . . . . 0.0 114.647 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.33 -36.49 84.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.029 0.442 . . . . 0.0 111.004 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -86.92 32.99 0.66 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.776 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -30.52 18.69 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -62.32 -60.28 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.0 110.404 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -67.68 -30.03 69.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.387 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -60.02 -48.91 79.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.088 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.49 -41.2 93.8 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.927 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 m -63.51 -46.58 85.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.645 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.7 tp -61.75 -41.92 98.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.639 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.61 73.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.236 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -67.36 -45.4 76.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.2 p -61.16 -47.69 85.01 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 m -63.66 -39.12 93.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.674 0.274 . . . . 0.0 111.322 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.88 -31.34 72.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.418 0.628 . . . . 0.0 109.841 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -74.82 -37.67 62.24 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.269 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -74.6 -42.55 58.48 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.6 mt -93.34 7.3 44.98 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.28 -30.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 66.24 88.0 0.11 Allowed 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 10.5 m -106.57 -159.42 0.7 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.427 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -113.22 117.55 32.2 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -76.81 71.95 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.08 0.467 . . . . 0.0 111.188 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.5 mt -74.46 -42.54 58.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.295 0.569 . . . . 0.0 110.127 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.9 mt -98.43 156.63 16.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.87 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -122.86 146.75 47.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.295 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.6 t -56.62 -59.34 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.447 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -56.61 -49.16 75.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.421 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -56.62 -50.82 70.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.844 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.5 mtp -63.78 -37.55 87.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.963 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.24 -38.25 79.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.903 0.383 . . . . 0.0 110.674 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -72.09 -43.46 64.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.753 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.6 mt -78.91 -34.59 44.56 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.59 -53.17 0.7 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.471 0.708 . . . . 0.0 111.827 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.1 t -101.62 112.04 64.69 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.278 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.47 174.8 8.64 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.784 2.323 . . . . 0.0 111.71 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -85.35 149.3 25.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.796 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.2 m -63.28 -41.69 99.02 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -85.81 -23.06 27.34 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 91.2 m -63.85 -41.06 97.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.9 t -76.32 -37.34 31.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -55.03 -47.7 74.39 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.899 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.2 m -61.32 -47.82 84.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.355 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -55.95 -41.28 74.45 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.075 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.0 mm -65.92 -40.02 86.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.036 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -45.45 83.97 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.988 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.54 -38.77 91.29 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.274 0.559 . . . . 0.0 110.021 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.5 tp -68.5 -41.67 79.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.166 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -57.47 -45.23 85.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.371 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -56.09 -45.72 79.3 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.214 0.53 . . . . 0.0 110.463 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.6 m -61.34 -39.85 92.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 61.9 mt -68.15 -35.12 77.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.037 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 83.4 t -70.52 -48.12 61.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.478 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -67.63 -20.11 65.29 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -87.02 -12.66 46.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.313 0.577 . . . . 0.0 110.243 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.75 15.18 73.76 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.792 -0.64 . . . . 0.0 113.041 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 98.4 mt . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 121.008 0.432 . . . . 0.0 110.933 -179.62 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 121.129 0.49 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -62.17 -30.5 71.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.439 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -55.14 -50.91 68.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.035 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 33.3 mt -64.52 -40.79 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.592 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -62.36 -44.6 96.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.614 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -68.25 -39.6 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.724 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.18 -47.12 84.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.289 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -69.49 -30.34 68.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -63.28 -30.09 71.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.504 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 19.2 t -68.14 -27.62 37.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.989 0.423 . . . . 0.0 110.776 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -72.29 -41.93 66.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -66.32 155.37 37.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.21 -2.79 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.82 -17.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.84 64.63 1.14 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -123.16 -34.77 3.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.41 12.59 53.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.927 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -95.43 107.92 20.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.431 0.158 . . . . 0.0 111.0 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 pp -119.51 142.32 35.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.589 0.233 . . . . 0.0 110.833 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.03 144.57 38.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.773 0.321 . . . . 0.0 111.132 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.1 82.01 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.69 -37.94 77.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.147 0.498 . . . . 0.0 110.692 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -80.44 -41.18 24.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.182 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 24.3 tp -54.5 -44.48 72.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.395 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -64.13 -29.38 70.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.03 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -85.65 -23.37 27.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.318 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 85.8 t -66.48 -48.55 80.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.744 0.307 . . . . 0.0 110.503 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 83.7 mtp -58.54 -42.23 87.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.317 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.64 -32.1 67.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.088 0.471 . . . . 0.0 110.85 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.14 -29.09 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.041 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.87 -9.42 58.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.432 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.5 27.29 18.04 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.175 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -83.54 164.5 19.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.703 0.287 . . . . 0.0 110.418 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -126.58 28.99 5.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.205 0.526 . . . . 0.0 111.314 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.63 132.01 44.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.377 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.18 152.43 40.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.706 0.288 . . . . 0.0 111.246 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -59.06 -40.79 86.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.156 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -60.85 -36.63 79.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.722 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -61.39 -40.51 94.62 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.932 0.396 . . . . 0.0 110.181 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 19.8 t -62.59 -44.05 99.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.347 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -40.14 96.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -60.08 -45.99 91.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.056 0.455 . . . . 0.0 109.908 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 63.3 mtt -66.26 -34.46 78.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.459 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 34.9 mt -65.5 -38.52 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.142 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -71.88 -22.76 61.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.437 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -88.87 -9.35 51.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.259 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -113.36 161.16 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.291 0.567 . . . . 0.0 112.244 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -85.68 89.68 7.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.266 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 40.3 mt -115.16 -65.84 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.259 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -66.46 131.78 46.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.78 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.25 -21.04 46.19 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.777 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -104.98 -65.23 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.153 0.502 . . . . 0.0 110.309 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 134.95 -66.02 0.57 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.973 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.53 155.9 19.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.837 0.351 . . . . 0.0 110.833 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 1.3 t -117.03 151.42 18.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -86.24 108.78 18.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.305 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -60.48 -27.73 67.79 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.63 -39.73 68.26 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.817 0.342 . . . . 0.0 111.751 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -63.78 -26.8 68.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.08 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -92.26 -42.24 9.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.422 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 93.8 t -59.8 -47.99 89.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.084 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -68.51 -32.66 72.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.252 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 40.7 ttm -68.73 -47.94 65.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.776 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 63.4 mtm -61.4 -36.54 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.769 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 3.6 p -82.01 1.8 33.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -110.53 3.51 19.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.382 0.61 . . . . 0.0 109.566 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.422 -179.78 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 111.739 -0.544 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 p -62.25 -41.53 98.52 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -63.62 -36.2 83.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.655 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -67.07 -35.73 80.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -60.69 -49.81 76.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.014 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.0 mt -66.04 -35.76 81.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.0 tp -65.17 -43.35 92.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.62 -42.58 99.09 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.665 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -61.63 -46.84 88.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.8 m -69.64 -39.55 77.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -54.98 -38.62 68.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.345 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.8 95.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.918 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.8 ptp -83.9 -18.34 37.73 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.8 m -64.82 -30.93 71.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.324 0.583 . . . . 0.0 110.036 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -67.91 -15.05 63.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.738 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -88.11 -1.52 58.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 110.559 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -117.46 151.61 36.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -110.61 148.28 32.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.75 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.6 t60 69.73 14.23 8.11 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.689 0.618 . . . . 0.0 111.259 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -130.07 115.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.778 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -128.88 93.77 3.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.003 0.43 . . . . 0.0 110.594 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 67.4 mt -84.48 100.36 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.079 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -105.02 -15.91 14.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.488 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -161.97 165.34 27.59 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -90.21 57.1 3.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.922 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 p -158.32 -84.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.48 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -57.54 -41.62 81.29 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.0 m -69.63 -8.08 44.44 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -110.29 -5.42 15.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.794 0.331 . . . . 0.0 111.358 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.6 m -67.15 -18.77 65.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.1 -16.04 58.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.032 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.1 -47.04 2.81 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.236 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.3 mmm -48.54 -33.18 9.16 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.19 -34.69 64.1 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -64.19 -52.8 57.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.978 0.418 . . . . 0.0 110.77 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.7 m -66.87 -31.79 72.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.766 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.54 97.85 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 110.376 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 tp -68.15 -42.43 80.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.779 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.8 mm -61.55 -46.0 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.004 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -68.03 -19.96 64.95 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -68.71 -34.65 76.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.37 . . . . 0.0 110.094 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -98.0 -35.29 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.476 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -114.39 100.41 52.87 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.849 0.357 . . . . 0.0 111.466 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.9 -39.15 3.47 Favored 'Trans proline' 0 CA--C 1.528 0.178 0 C-N-CA 123.039 2.493 . . . . 0.0 111.947 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -81.85 15.87 2.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.156 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.69 -58.67 2.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.853 0.358 . . . . 0.0 111.371 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -169.77 169.61 8.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.783 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -95.67 116.37 28.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -72.34 -27.34 62.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.119 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.71 -17.05 62.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.09 0.471 . . . . 0.0 110.447 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -95.81 10.89 35.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.806 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.0 mt -105.86 132.82 51.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.191 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -108.05 150.07 39.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.07 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.89 -17.58 56.02 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.543 2.162 . . . . 0.0 110.99 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.07 -8.46 59.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.019 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -105.19 38.39 1.96 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.038 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -56.79 -43.85 81.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.097 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -58.9 -48.54 81.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.011 0.434 . . . . 0.0 110.097 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -38.62 91.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.372 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -56.59 -48.67 76.9 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.799 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -61.81 -43.44 98.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.486 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -64.7 -46.74 81.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.004 0.43 . . . . 0.0 110.136 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.51 -49.32 78.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.56 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.39 -53.48 56.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.902 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -62.79 -52.11 64.48 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.0 m -59.3 -47.55 84.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.6 m -63.38 -40.6 97.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.748 0.308 . . . . 0.0 111.098 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.42 -39.06 88.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 110.581 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -71.39 -33.16 69.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.175 0.512 . . . . 0.0 110.898 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -75.92 -31.07 58.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.937 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.6 mt -99.35 -52.1 3.6 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.03 0.5 25.68 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 41.63 54.72 3.7 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 7.7 p -79.68 163.31 24.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.58 139.4 35.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.344 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -80.43 86.06 5.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.686 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.2 mt -79.55 -14.8 58.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.664 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.1 mt -132.62 159.5 39.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.652 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -115.38 153.67 30.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.644 0.259 . . . . 0.0 111.069 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.71 -57.36 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.547 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.8 -36.75 74.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.702 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.04 -53.18 57.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.042 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.0 mmt -61.3 -40.92 95.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.632 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.97 -38.69 83.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.824 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.3 ttp-105 -77.04 -52.07 9.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.041 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -42.95 86.45 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.83 -46.25 0.64 Allowed 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.74 104.29 30.29 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -74.12 147.97 38.89 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.811 2.341 . . . . 0.0 112.318 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -73.77 137.24 43.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.615 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.3 t -60.19 -30.59 69.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -72.63 -40.85 66.1 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.132 0.491 . . . . 0.0 110.916 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 55.8 m -65.51 -45.91 81.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.187 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.68 -41.63 82.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.493 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -56.45 -52.4 64.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.89 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.8 m -62.02 -35.78 79.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.441 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.26 -45.84 89.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.864 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.3 mm -73.98 -31.51 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.146 0.498 . . . . 0.0 109.999 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -55.93 -55.14 36.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.001 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.83 -38.99 73.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.398 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.32 -41.44 89.11 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.662 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -60.4 -40.32 90.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.245 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -61.01 -46.88 88.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 m -59.7 -33.35 71.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.081 0.467 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.2 mt -75.79 -25.34 56.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.685 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.2 t -74.48 -46.21 43.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.593 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.91 -30.35 71.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.974 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -82.98 -13.18 56.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.778 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 73.09 38.56 54.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.946 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.843 0.354 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.29 -30.99 61.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.856 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -59.26 -32.97 70.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.98 -42.56 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.067 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -65.33 -39.36 92.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.041 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.07 -32.86 74.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.812 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.48 96.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.984 0.421 . . . . 0.0 109.933 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -71.63 -33.34 68.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.804 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -60.47 -33.24 72.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.554 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 89.8 t -62.87 -37.5 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.041 0.448 . . . . 0.0 110.829 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -72.03 -37.37 69.76 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.568 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -67.42 137.07 55.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -113.31 7.6 17.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -132.43 -25.08 1.98 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.155 0.502 . . . . 0.0 111.002 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.24 43.05 5.71 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.771 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -102.92 -36.37 8.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.094 0.473 . . . . 0.0 110.914 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.82 13.63 49.47 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.153 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -117.41 123.69 47.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.0 pt -139.82 179.73 2.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.4 p -98.93 171.59 7.96 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.661 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.72 -23.9 66.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.42 -50.8 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.237 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -67.76 -39.15 84.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.702 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 44.0 tp -54.05 -52.56 60.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.427 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -68.09 -31.15 70.57 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -65.5 -34.94 79.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.02 -43.33 76.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 9.1 mtt -58.86 -45.8 89.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.491 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 2.0 p -74.31 -9.97 59.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.709 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -98.39 -12.29 21.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.14 0.495 . . . . 0.0 110.602 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.2 mt -92.9 4.69 53.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.23 32.26 79.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.103 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -72.46 142.52 48.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.589 0.233 . . . . 0.0 110.667 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -96.38 18.26 14.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.284 0.564 . . . . 0.0 110.326 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 10.3 tp -77.28 120.27 22.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.219 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 55.3 p -69.28 154.41 42.08 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.58 -34.99 65.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.557 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.0 -45.97 91.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.093 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -63.88 -39.33 93.94 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.032 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.42 -42.92 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.446 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -59.82 -40.37 88.18 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.904 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.79 -48.04 83.61 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.903 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 40.8 mtt -60.12 -43.49 95.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.862 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.39 -34.94 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.427 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 26.0 ttm-85 -70.48 -25.0 62.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.341 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -80.74 -9.19 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.072 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -118.64 153.84 33.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.093 0.473 . . . . 0.0 110.419 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.95 68.85 10.68 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.207 0.527 . . . . 0.0 111.114 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 45.7 mt -96.84 -60.29 2.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.841 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.28 110.67 3.62 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 113.63 -14.44 22.4 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.658 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -105.15 -57.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.78 0.324 . . . . 0.0 110.54 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 133.22 -106.86 0.65 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.654 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -89.24 140.04 29.88 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 15.5 m -130.63 165.13 31.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.837 0.351 . . . . 0.0 111.155 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -94.88 141.96 28.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.144 0.497 . . . . 0.0 111.005 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -68.17 -24.87 65.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.752 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -54.05 -43.39 70.18 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -60.62 -45.17 95.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.711 0.291 . . . . 0.0 111.032 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -39.99 92.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.075 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 77.8 t -62.2 -43.91 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.083 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -65.89 -33.28 75.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.261 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 82.7 mtp -70.89 -47.81 57.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 23.2 ptp -67.01 -24.78 66.06 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 16.5 p -87.36 -20.23 27.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.04 0.448 . . . . 0.0 110.721 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.49 -29.57 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.634 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.865 179.898 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 113.39 0.116 . . . . 0.0 113.39 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -49.43 24.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.326 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -64.35 -29.41 70.48 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.554 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.43 -35.79 76.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.684 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.1 tpp -61.74 -53.1 60.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.7 mt -65.76 -36.5 83.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.818 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.46 -46.46 86.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.144 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -64.52 -44.86 89.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.3 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -59.23 -43.83 92.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.626 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -68.41 -49.66 58.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.693 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -58.26 -32.32 68.27 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.87 -17.96 64.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.4 mtm -117.47 -45.42 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -68.33 -11.84 60.15 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.4 ttm-85 -69.69 -13.89 62.53 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.438 0.637 . . . . 0.0 110.189 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -77.27 -11.84 59.88 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.464 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -92.57 127.83 38.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.458 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.1 mp0 -75.63 146.48 40.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.734 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 69.21 18.67 8.1 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.667 0.604 . . . . 0.0 110.86 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.3 t -123.07 117.47 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.654 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -116.0 149.27 39.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.6 mt -129.45 96.96 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.856 0.36 . . . . 0.0 111.233 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -97.99 -51.24 4.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.233 0.54 . . . . 0.0 109.653 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -157.02 167.57 30.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.952 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -77.57 48.24 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.636 0.255 . . . . 0.0 111.348 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 m -148.61 -81.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -60.89 -45.06 96.11 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.05 2.0 9.79 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -122.34 14.2 10.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.482 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.7 t -69.03 -31.89 71.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.479 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.3 p -79.28 -27.73 42.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.279 0.562 . . . . 0.0 110.604 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.12 -3.68 79.65 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.763 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.49 -30.53 71.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.421 . . . . 0.0 110.335 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.57 -33.25 72.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.251 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -63.21 -55.62 23.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.086 0.469 . . . . 0.0 110.032 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.9 m -63.45 -35.66 81.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.25 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.16 98.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.794 0.33 . . . . 0.0 110.683 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.4 tp -71.32 -46.74 59.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.4 mm -61.18 -39.11 81.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.008 0.432 . . . . 0.0 110.768 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -64.22 -24.34 67.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.265 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -73.96 -28.88 61.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.022 0.439 . . . . 0.0 110.433 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -90.72 -39.42 12.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.639 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -126.39 102.1 27.07 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.007 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.44 -29.29 25.61 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 122.848 2.365 . . . . 0.0 111.972 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -86.09 -0.81 56.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.376 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.55 -56.52 17.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.761 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -169.41 164.11 10.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.804 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.1 111.88 23.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.985 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -69.38 -37.9 77.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.1 -21.76 66.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.072 0.463 . . . . 0.0 111.202 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -93.36 -1.45 55.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.366 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.0 mt -79.81 136.41 36.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.012 0.434 . . . . 0.0 110.981 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.69 121.87 49.63 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.46 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.14 -21.56 66.4 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.705 2.27 . . . . 0.0 112.593 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.97 -7.2 55.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.159 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -115.93 49.84 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.812 0.339 . . . . 0.0 110.379 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -57.07 -33.53 67.36 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.14 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.7 mtm105 -59.51 -45.34 91.99 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.906 0.384 . . . . 0.0 110.272 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -74.37 -34.84 63.47 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -59.02 -53.95 52.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.86 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -59.24 -44.51 92.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.715 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.7 m -60.64 -45.46 94.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.6 tp -61.95 -41.63 98.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.535 -179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.65 -54.61 43.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.436 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -62.22 -51.32 68.25 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.3 p -56.48 -48.62 76.72 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.6 m -65.65 -40.03 92.03 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.574 0.226 . . . . 0.0 111.242 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.37 -43.52 98.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.168 0.509 . . . . 0.0 109.943 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -70.55 -41.42 72.5 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.648 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -67.44 -33.26 74.78 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.8 mt -100.99 -33.74 10.05 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.6 1.24 12.23 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 t70 55.39 45.0 26.27 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.089 0.471 . . . . 0.0 111.456 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 46.7 m -72.7 152.71 41.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.057 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.17 142.09 33.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.511 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -79.8 76.51 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.002 0.43 . . . . 0.0 110.27 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.6 mt -82.41 -14.9 54.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.328 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.6 mt -136.53 147.26 46.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.157 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -110.54 142.06 42.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.533 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.57 -56.31 18.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.82 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -60.06 -30.64 69.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.105 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -76.56 -48.95 17.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.754 0.311 . . . . 0.0 110.692 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 83.3 mtp -58.78 -48.04 82.61 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.0 t -60.9 -35.36 64.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.137 0.494 . . . . 0.0 110.329 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -69.4 -40.54 77.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 55.3 mt -73.39 -31.46 63.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.053 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.93 -50.38 0.69 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.405 0.682 . . . . 0.0 111.797 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.5 t -110.7 104.88 56.71 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.35 144.97 63.91 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.932 2.421 . . . . 0.0 112.484 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.0 136.35 48.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.29 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 m -60.72 -27.82 68.19 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -72.08 -48.35 44.76 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.696 0.284 . . . . 0.0 111.41 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.1 m -58.15 -45.39 87.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.75 -42.6 89.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.421 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -58.38 -50.91 71.96 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.718 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.0 m -59.38 -41.64 89.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -60.96 -49.65 76.57 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.279 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.52 -36.33 70.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.555 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.55 -52.47 65.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.21 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.89 -36.47 83.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.774 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.8 tp -66.12 -34.54 78.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.263 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -59.4 -33.31 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.265 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -67.96 -30.54 69.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.075 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 m -79.65 -8.07 58.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.394 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.4 mt -96.24 -39.49 9.64 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.667 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.05 -40.85 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 120.894 0.378 . . . . 0.0 111.036 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -64.6 -29.85 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.581 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -86.03 -7.86 58.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.117 0.484 . . . . 0.0 110.541 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.91 15.4 81.68 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.297 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 83.7 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.887 0.375 . . . . 0.0 110.711 -179.777 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.885 0.374 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 27.5 mp0 -58.66 -33.52 70.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.321 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -59.95 -32.11 70.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.44 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.93 -48.17 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -66.5 -39.51 88.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.066 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.03 -37.08 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.44 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.196 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -69.14 -31.42 70.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.761 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -63.99 -30.22 71.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.765 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 88.2 t -73.91 -30.43 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.414 0.626 . . . . 0.0 109.642 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -76.5 -45.11 32.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.586 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -81.2 105.45 12.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.113 0.482 . . . . 0.0 109.82 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -93.25 12.13 25.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.994 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -122.23 -42.44 2.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.077 0.465 . . . . 0.0 111.886 -179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.2 43.03 3.59 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.58 -26.56 13.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.308 -0.446 . . . . 0.0 110.46 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.03 10.99 68.23 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.358 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -110.05 134.06 52.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.561 0.219 . . . . 0.0 110.715 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.4 pt -141.11 148.55 21.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.04 148.41 48.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.964 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.66 81.62 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.34 93.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.704 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.52 -36.2 78.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.718 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 11.0 tp -58.4 -51.21 70.8 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.597 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -65.04 -28.33 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.331 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -65.93 -34.67 78.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.264 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 19.9 t -74.12 -43.16 51.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.731 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 91.1 mtp -57.11 -44.6 83.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 2.6 p -73.03 -33.72 65.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -64.62 -34.87 79.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.1 -27.36 68.87 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.371 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.71 20.81 38.95 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -70.53 131.61 44.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -86.89 75.09 9.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.168 0.509 . . . . 0.0 111.74 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -123.78 154.74 39.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.214 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 64.0 p -84.01 154.74 23.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.057 0.456 . . . . 0.0 111.402 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -64.28 -30.23 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.91 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -62.08 -42.16 98.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.772 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -62.28 -43.32 99.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.375 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 16.2 t -66.19 -39.36 84.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.32 -34.59 74.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.785 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -73.23 -35.31 66.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.418 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 44.4 mtt -64.89 -34.8 79.26 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.34 -25.04 36.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.832 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -92.11 -1.84 56.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.606 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.44 -42.19 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.801 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.88 167.08 11.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.372 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -86.98 85.08 7.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.137 0.494 . . . . 0.0 111.998 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 1.8 mp -87.35 -64.92 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.805 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -95.65 164.5 12.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.4 -8.22 65.44 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -117.56 -94.19 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.985 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 155.77 -26.71 0.58 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.361 -0.924 . . . . 0.0 112.857 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -143.79 136.58 27.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.845 0.355 . . . . 0.0 111.072 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 17.2 t -107.55 134.09 50.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.043 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -77.35 120.49 22.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.907 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -35.08 79.24 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -57.38 -41.33 79.99 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.29 -50.61 70.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.848 0.356 . . . . 0.0 111.429 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -64.69 -34.83 79.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.617 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.16 -45.59 98.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.31 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -66.3 -39.56 89.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.779 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 98.8 mtp -62.84 -47.56 82.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.22 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 19.4 ptp -69.09 -19.0 64.05 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.3 p -92.06 -7.18 49.44 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.859 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -116.55 23.5 11.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.087 0.47 . . . . 0.0 110.984 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.669 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.805 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -56.15 25.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.084 0.469 . . . . 0.0 110.999 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -68.34 -36.06 78.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.656 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -63.38 -41.62 98.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.208 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 tpt -62.42 -44.61 96.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.985 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.91 -39.8 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.866 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.27 -42.99 87.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.54 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -67.2 -37.07 83.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.0 110.518 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -60.92 -52.8 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.26 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 p -68.22 -30.94 70.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.892 0.377 . . . . 0.0 111.105 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -64.27 -35.63 81.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.992 0.425 . . . . 0.0 110.372 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 -27.27 58.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.642 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.1 mmt -82.12 -22.36 36.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.265 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 t -92.03 -2.07 56.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.195 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -67.33 -25.1 65.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.069 0.461 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -94.25 4.51 53.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.287 0.565 . . . . 0.0 110.386 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -118.21 101.54 8.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.57 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -70.25 158.26 36.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.412 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.7 t60 79.92 -47.39 0.34 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.738 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 t -72.71 97.03 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.975 0.416 . . . . 0.0 110.243 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -107.04 100.64 10.12 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.119 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 65.5 mt -78.4 106.97 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.995 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -100.51 -45.65 5.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.476 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -146.64 166.96 24.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.381 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -79.54 55.04 1.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.9 0.381 . . . . 0.0 111.123 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.2 t -162.38 -71.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.872 0.368 . . . . 0.0 111.299 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -48.31 74.12 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -76.68 -1.32 27.21 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -115.51 13.51 16.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.778 0.323 . . . . 0.0 110.245 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.1 p -66.45 -44.32 83.12 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.73 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -16.04 48.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.162 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.39 -2.78 75.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.858 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.9 mmm -56.54 -37.92 71.16 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.823 0.345 . . . . 0.0 111.153 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.88 -35.23 76.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.444 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -64.95 -53.27 48.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.3 m -59.5 -40.35 86.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.005 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.46 81.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.09 -46.24 89.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.265 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.8 mm -63.38 -44.4 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.968 0.413 . . . . 0.0 110.647 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -66.41 -25.98 67.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.606 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -26.18 65.76 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -109.17 -29.55 8.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.517 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -116.83 89.0 27.63 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.853 0.359 . . . . 0.0 110.272 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.88 -22.48 56.07 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.803 2.336 . . . . 0.0 112.188 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -97.03 10.67 38.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.975 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.71 -62.36 1.48 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.147 0.499 . . . . 0.0 110.515 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -162.96 167.4 22.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.41 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.09 110.76 22.45 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.776 0.322 . . . . 0.0 110.99 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -71.51 -31.56 67.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.071 0.463 . . . . 0.0 110.341 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.57 -20.61 64.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.165 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.17 -2.76 52.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.885 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.7 mt -83.08 165.91 19.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.854 0.359 . . . . 0.0 111.188 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -154.36 141.18 13.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -50.26 -23.77 10.47 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.554 2.836 . . . . 0.0 113.74 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.19 67.77 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.122 0.487 . . . . 0.0 110.769 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -94.84 28.51 2.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.233 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -51.29 -42.36 61.09 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.51 -28.47 67.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.11 -19.64 21.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.592 0.234 . . . . 0.0 111.569 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -58.39 -46.39 86.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -59.81 -46.03 90.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.901 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -50.47 73.04 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.9 tp -56.45 -47.61 78.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.258 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.71 -52.16 64.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.567 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -65.22 -57.23 9.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.1 m -55.21 -43.6 74.6 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.2 m -68.16 -39.04 82.7 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.593 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.53 95.12 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -67.4 -16.75 64.41 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.106 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -95.11 -41.46 9.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.855 0.36 . . . . 0.0 111.236 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.6 mt -80.87 -48.25 12.64 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -108.61 -23.64 11.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.0 t0 68.13 68.76 0.33 Allowed 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.838 0.711 . . . . 0.0 111.093 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.6 p -88.26 166.1 14.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.686 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.4 128.42 33.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.444 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -78.19 68.9 4.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.393 0.616 . . . . 0.0 110.947 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.4 mt -88.91 -4.39 58.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.373 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.7 mt -119.27 126.32 51.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.784 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.76 129.18 34.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.675 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.86 -68.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.404 -178.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -57.57 -39.51 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.087 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -60.25 -41.81 93.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.709 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 80.7 mtp -71.26 -32.66 68.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.734 0.302 . . . . 0.0 110.811 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.8 -51.32 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.253 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -68.22 -38.42 81.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.812 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.45 -45.03 81.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.562 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.81 -43.75 0.57 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.743 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 36.7 t -106.13 100.99 31.82 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -79.98 170.55 16.44 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.47 2.113 . . . . 0.0 111.817 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -99.41 135.83 40.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.437 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.5 m -60.03 -29.88 68.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.243 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -67.06 -41.65 86.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.233 0.54 . . . . 0.0 110.35 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.1 m -71.86 -39.9 69.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.602 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.76 -45.68 91.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.491 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -55.71 -45.37 77.89 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 48.3 m -57.63 -43.49 84.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.477 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -68.6 -47.5 66.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.079 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.4 mm -59.76 -39.92 81.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.08 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -60.33 -50.52 73.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.297 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.37 -35.38 80.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.672 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.43 -38.98 92.93 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -67.85 -31.21 70.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.726 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -57.51 -44.51 85.08 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.745 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -73.7 -35.24 65.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.481 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.79 -31.41 72.38 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.535 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.78 -52.87 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.39 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -35.08 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.408 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -70.8 -30.35 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.114 0.483 . . . . 0.0 110.487 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.16 28.44 60.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.533 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.7 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.918 0.39 . . . . 0.0 111.456 -179.679 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.437 0.636 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.29 -34.3 70.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.02 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -60.42 -35.88 76.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.53 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.2 mt -70.19 -43.13 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.056 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -64.29 -41.07 97.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.295 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.14 -37.35 87.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.67 90.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.989 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -66.55 -33.46 75.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.339 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -69.72 -14.15 62.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.728 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.87 -33.47 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -86.91 -15.21 39.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.135 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -92.64 100.79 13.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -74.36 26.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -159.03 -42.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.992 0.425 . . . . 0.0 111.454 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.89 54.49 0.92 Allowed Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -104.7 -32.49 8.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.767 0.318 . . . . 0.0 111.477 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.67 15.19 15.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.567 -0.825 . . . . 0.0 113.741 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -127.54 128.56 45.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.195 0.498 . . . . 0.0 111.626 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 20.6 pt -136.6 -179.78 3.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.433 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.67 153.77 34.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.229 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.67 -36.43 84.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.23 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.02 -46.6 80.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.138 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -61.41 -42.37 98.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.108 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 35.4 tp -53.51 -51.71 61.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -66.65 -36.27 82.16 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.188 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -64.52 -40.21 95.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.14 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 78.4 t -67.71 -41.92 85.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.906 0.384 . . . . 0.0 110.145 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.27 -42.27 90.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.503 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.82 -35.71 62.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.0 0.428 . . . . 0.0 110.717 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -64.6 -31.28 72.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.66 -19.4 65.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.182 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.67 22.59 33.33 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.203 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -68.47 132.29 46.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.959 0.409 . . . . 0.0 110.595 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -92.62 63.37 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.029 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -118.48 141.17 48.83 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.966 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 57.7 p -73.31 158.58 34.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.864 0.364 . . . . 0.0 111.079 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -30.67 69.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -62.61 -43.11 99.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.175 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.61 -38.81 90.5 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.531 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.54 -44.96 93.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -59.11 -41.69 88.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.401 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -61.92 -44.46 96.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.522 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 69.0 mtt -62.6 -36.08 81.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.705 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.48 -43.23 98.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.735 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -75.93 -14.55 60.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.916 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -87.8 -8.16 56.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.479 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -128.94 -176.05 3.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.718 0.294 . . . . 0.0 111.138 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -91.41 96.25 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.422 0.63 . . . . 0.0 110.529 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 58.2 mt -132.64 -59.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.214 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.42 108.38 13.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.602 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 115.61 -6.76 20.43 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.13 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -108.42 -160.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.778 0.289 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -113.3 -38.19 1.25 Allowed Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.719 -0.753 . . . . 0.0 113.672 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -139.79 156.38 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.014 0.407 . . . . 0.0 110.163 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 24.9 t -116.2 130.46 70.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.32 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.13 118.17 21.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.476 178.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -78.64 -22.82 46.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.45 -41.58 89.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 111.126 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -57.86 -45.22 86.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.891 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -64.06 -37.25 86.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.384 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.96 -44.82 99.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -68.48 -33.86 74.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.841 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 65.1 mtp -68.66 -40.69 80.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.369 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 20.5 ptp -78.69 -12.96 60.04 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.7 p -94.69 -26.41 16.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.932 0.396 . . . . 0.0 111.208 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.7 -12.88 59.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.981 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 54.4 mttm . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.582 -179.676 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.444 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p -71.52 -28.42 63.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.782 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -65.49 -36.6 84.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.328 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -63.49 -29.4 70.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.441 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.9 tpt -66.98 -46.09 75.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.22 -37.31 72.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.976 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.4 tp -60.19 -50.43 73.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.63 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -63.49 -45.98 88.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.31 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -55.86 -49.93 72.0 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.1 t -68.02 -47.17 69.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -55.54 -42.81 75.14 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.17 99.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.9 ttm -80.37 -37.02 33.13 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -76.59 -10.31 59.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.742 0.306 . . . . 0.0 111.154 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -60.85 -23.31 65.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.454 0.645 . . . . 0.0 110.231 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -68.63 -24.79 64.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.0 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -92.64 120.9 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.05 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.1 mp0 -78.43 151.85 32.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.096 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 74.92 -10.05 1.27 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.637 0.586 . . . . 0.0 111.711 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.8 t -110.72 84.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.184 0.516 . . . . 0.0 110.2 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.35 153.22 18.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.132 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.5 mt -120.01 107.64 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.941 0.4 . . . . 0.0 111.26 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -92.38 -58.54 2.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.683 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -150.36 167.94 25.57 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -77.88 50.22 0.84 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.845 0.355 . . . . 0.0 111.309 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 m -152.47 -79.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.674 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -60.99 -47.5 86.15 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -11.26 58.13 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -104.74 -3.39 23.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.635 0.255 . . . . 0.0 111.544 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.3 m -69.11 -21.45 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.134 0.492 . . . . 0.0 110.943 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.1 p -82.44 -22.23 35.34 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.374 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.69 -9.78 27.98 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.758 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.9 mmm -66.45 -25.57 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 111.78 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.15 71.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.051 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -63.48 -55.83 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.976 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.77 -31.55 72.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.767 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.64 -49.85 75.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.869 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.2 tp -64.36 -40.14 95.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 47.8 mm -64.76 -47.37 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -68.82 -27.44 65.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.337 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -64.54 -30.8 71.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -96.74 -43.29 7.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -112.75 101.1 52.41 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.94 -35.15 15.81 Favored 'Trans proline' 0 CA--C 1.527 0.16 0 C-N-CA 122.977 2.451 . . . . 0.0 112.357 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -80.65 3.62 21.42 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.01 -56.88 13.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.896 0.379 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -171.34 165.32 7.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.018 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.1 101.48 13.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.233 0.54 . . . . 0.0 110.654 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -65.32 -32.99 74.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.259 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.3 -10.05 57.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.23 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -105.06 9.37 34.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.58 0.229 . . . . 0.0 111.395 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 68.9 mt -87.36 151.0 23.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.792 0.329 . . . . 0.0 111.402 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -125.88 147.28 58.34 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.422 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.91 -25.93 59.51 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.66 2.24 . . . . 0.0 111.484 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.98 -6.3 55.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.496 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -110.86 26.49 10.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.314 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -56.43 -36.77 69.36 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.988 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -58.73 -42.92 89.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.102 0.477 . . . . 0.0 110.36 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -34.73 57.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.494 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -57.24 -48.01 79.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.487 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -58.69 -49.23 78.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.8 0.333 . . . . 0.0 110.779 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.9 m -61.55 -45.02 95.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.419 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.4 tp -56.25 -46.34 79.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.483 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.02 -49.03 71.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.447 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -65.76 -43.87 87.6 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.1 p -63.86 -54.1 40.24 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.4 m -59.54 -36.74 76.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.554 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.91 97.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 0.0 110.042 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -71.86 -32.73 67.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.519 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -74.65 -17.31 60.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.454 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.2 mt -106.21 -45.93 4.19 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.09 9.97 7.48 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 50.24 54.27 11.4 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.207 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 57.9 m -67.15 140.07 57.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.696 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.5 139.22 58.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.023 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -77.05 80.4 3.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.962 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.4 mt -96.48 1.07 51.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.194 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.5 mt -144.34 142.73 30.58 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.142 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -106.24 140.88 38.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.25 -52.25 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.415 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.88 -51.71 68.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.795 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -58.55 -38.56 78.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.644 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -40.53 96.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.336 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.5 t -74.49 -32.73 30.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.295 0.569 . . . . 0.0 109.948 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 ttp85 -69.15 -54.59 14.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.1 mt -74.02 -33.64 63.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.593 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.81 -58.71 0.58 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.319 0.648 . . . . 0.0 111.306 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.2 t -98.44 111.06 59.02 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -77.41 161.74 31.35 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.683 2.256 . . . . 0.0 112.37 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.4 150.69 24.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.697 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -61.56 -37.1 82.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -62.69 -44.48 96.12 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.824 0.345 . . . . 0.0 111.243 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.9 m -61.21 -33.42 73.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.73 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 20.9 t -83.73 -39.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.95 0.405 . . . . 0.0 110.145 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -56.17 -51.85 66.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.227 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 t -66.82 -27.01 67.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.804 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -73.76 -47.72 36.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.906 0.384 . . . . 0.0 110.42 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.9 mm -68.14 -33.96 63.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -57.1 -52.88 63.5 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.289 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -67.4 -35.49 79.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.245 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.98 -46.46 87.58 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -59.3 -42.79 92.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.008 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.2 ttm-85 -60.75 -38.34 84.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.394 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.7 m -70.13 -27.76 64.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.754 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 43.3 mt -82.08 -29.18 31.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.644 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.33 -51.42 64.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.9 0.381 . . . . 0.0 110.818 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.47 -11.87 58.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.561 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -99.29 -8.3 25.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.699 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 68.2 14.21 65.91 Favored Glycine 0 C--O 1.228 -0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.741 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 76.6 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.934 0.397 . . . . 0.0 111.475 -179.282 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -55.2 -35.94 65.4 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.941 0.4 . . . . 0.0 111.272 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -58.7 -41.32 86.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.972 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 34.9 mt -64.68 -44.9 96.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.034 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -62.95 -40.45 97.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.136 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -64.75 -45.56 85.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.42 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.79 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.573 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -66.22 -32.25 73.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.841 0.353 . . . . 0.0 110.971 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -72.8 -22.37 60.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.737 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.34 -33.31 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.105 0.478 . . . . 0.0 110.453 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -73.33 -30.43 63.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.136 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -72.92 110.77 7.47 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -85.31 23.57 1.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -177.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -150.27 -41.87 0.13 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.969 0.414 . . . . 0.0 111.348 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.42 64.43 0.7 Allowed Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.0 -33.67 3.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.573 0.225 . . . . 0.0 110.932 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.08 12.1 32.51 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.392 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -119.47 116.54 26.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.726 0.298 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 25.0 pt -125.47 172.29 13.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.847 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.72 146.41 26.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.579 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.09 83.25 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.83 -44.04 97.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.536 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.34 -34.33 75.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.83 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -46.45 89.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.053 0.454 . . . . 0.0 110.306 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -66.44 -29.86 70.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.051 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -65.52 -34.37 78.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.557 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 41.9 t -70.17 -43.89 78.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.955 0.407 . . . . 0.0 110.107 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.3 -43.79 92.57 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.563 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.04 -28.97 64.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.173 0.511 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -71.83 -44.56 63.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.755 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.64 -31.8 73.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.282 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.53 42.72 3.59 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.446 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -77.08 125.12 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -79.7 64.57 4.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.097 0.475 . . . . 0.0 111.513 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 7.5 tp -119.57 146.21 45.7 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.495 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 60.5 p -79.74 150.49 30.8 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 121.114 -0.234 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.33 -33.15 67.43 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.223 0.535 . . . . 0.0 110.131 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -64.1 -41.84 97.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.448 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -66.57 -39.58 88.55 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.987 0.423 . . . . 0.0 110.392 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.34 -42.6 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.459 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -37.61 86.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.329 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.45 -44.11 97.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.46 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 62.0 mtt -63.95 -39.38 94.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.761 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 37.8 mt -59.66 -38.88 77.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.573 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -73.36 -24.35 60.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.969 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -87.01 -22.37 25.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.67 0.272 . . . . 0.0 111.399 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.31 177.09 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.922 0.391 . . . . 0.0 111.193 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -87.53 90.14 8.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 41.7 mm -108.73 -90.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -82.44 115.47 21.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.628 0.251 . . . . 0.0 110.573 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 123.27 -18.93 7.75 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.377 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -96.15 -83.23 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.845 0.323 . . . . 0.0 111.346 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 148.05 -37.07 1.1 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.405 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -127.12 129.56 48.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.745 0.273 . . . . 0.0 110.35 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 46.3 t -101.64 126.82 55.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.968 0.413 . . . . 0.0 111.443 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -83.42 129.27 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.237 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -72.51 -39.94 67.21 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -60.76 -35.84 77.41 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -52.75 -54.39 34.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.561 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -66.32 -35.14 79.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.792 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 81.1 t -61.35 -47.25 94.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.2 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -69.56 -29.72 67.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.585 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 93.0 mtp -70.96 -41.3 71.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.772 0.32 . . . . 0.0 110.719 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 20.2 ptp -76.78 -23.14 52.91 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 2.4 p -81.26 -23.2 38.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.815 0.341 . . . . 0.0 111.85 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -90.23 -0.65 57.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.599 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.823 -179.48 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 120.334 -0.148 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -69.41 -77.54 0.08 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.625 0.25 . . . . 0.0 110.848 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -62.78 -33.19 74.66 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.076 0.465 . . . . 0.0 110.607 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -61.07 -38.56 86.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.995 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.4 tpt -58.9 -49.36 78.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.515 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.5 mt -63.55 -30.65 71.74 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.85 -47.79 73.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.073 0.463 . . . . 0.0 109.959 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -70.55 -36.07 73.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.107 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -56.83 -54.15 49.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.641 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.2 p -68.15 -37.88 81.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.199 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.1 ttp85 -62.34 -42.17 99.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.65 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.51 -31.2 70.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.178 0.513 . . . . 0.0 110.958 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.5 mmt -74.07 -22.54 59.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.775 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -102.33 12.68 36.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.443 0.64 . . . . 0.0 110.506 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -69.88 -25.35 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -92.98 21.0 6.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.26 0.552 . . . . 0.0 110.905 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -119.59 152.9 36.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.92 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -108.08 149.06 28.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.445 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . 0.257 0.0 OUTLIER 65.18 -2.19 0.79 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.7 t -113.16 86.57 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.229 0.538 . . . . 0.0 110.008 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -105.84 108.67 20.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.392 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.8 mt -82.44 98.83 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.201 0.524 . . . . 0.0 110.683 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -100.04 -37.21 9.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.83 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -138.95 166.1 25.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -88.63 33.97 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 111.538 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.2 m -148.35 -60.41 0.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.181 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -50.71 71.43 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 m -78.1 0.88 23.04 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -117.78 9.08 12.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 0.0 111.383 -179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 p -66.27 -42.88 87.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.317 0.58 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 p -81.94 -15.24 54.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.754 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.97 4.86 78.74 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.145 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mmt -62.43 -37.01 84.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.719 0.295 . . . . 0.0 111.065 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.91 76.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.473 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -61.86 -53.04 61.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.169 0.509 . . . . 0.0 109.791 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.0 m -62.34 -40.04 95.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.264 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.86 97.96 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.3 tp -66.72 -48.25 69.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.337 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.62 -39.67 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.053 0.454 . . . . 0.0 110.579 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -65.76 -23.15 66.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.595 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -73.14 -22.55 60.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 111.212 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -107.43 -36.31 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.869 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -116.92 99.81 53.09 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.768 0.318 . . . . 0.0 111.113 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -73.06 -26.18 15.33 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.968 2.446 . . . . 0.0 112.031 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -88.52 -1.31 57.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.397 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.41 -68.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.938 0.399 . . . . 0.0 111.127 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -160.15 159.25 31.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.126 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -89.7 105.06 17.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.056 0.455 . . . . 0.0 110.636 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -65.06 -32.98 74.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.395 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.69 -19.92 66.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.15 8.34 42.75 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.099 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.8 mt -86.94 134.41 33.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.95 0.405 . . . . 0.0 111.276 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -115.6 134.38 22.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.511 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -54.82 -21.43 25.83 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.062 2.508 . . . . 0.0 112.647 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.32 -23.51 67.32 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.988 0.423 . . . . 0.0 110.536 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -99.24 31.43 3.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.977 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -54.89 -39.46 68.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.565 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -13.58 60.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.937 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -105.23 -19.6 13.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.041 0.448 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -41.56 99.3 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.709 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -60.47 -47.44 86.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.749 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.53 -45.98 91.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.717 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.01 -49.17 77.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.786 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.96 65.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.449 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -62.46 -56.61 16.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.3 m -53.92 -40.1 66.4 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.4 m -68.88 -44.03 74.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.407 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.43 -35.48 80.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.129 0.49 . . . . 0.0 110.197 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.64 -16.5 62.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.094 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -101.16 -45.97 5.21 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.4 mt -80.67 -37.14 31.38 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.79 -9.54 13.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.4 t70 57.59 51.69 9.26 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.488 0.661 . . . . 0.0 110.658 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.6 p -79.6 145.1 33.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.966 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.89 125.59 29.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.785 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.92 85.5 1.27 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.526 0.679 . . . . 0.0 111.932 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.2 mt -87.8 4.9 42.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.817 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.0 mt -142.28 144.42 33.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.32 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -99.39 128.5 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.189 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 88.9 t -52.26 -57.37 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.797 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.57 -39.73 81.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.732 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -62.3 -41.0 98.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.008 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.1 mtp -68.69 -31.69 70.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.972 0.415 . . . . 0.0 110.658 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.8 t -70.63 -46.9 67.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.418 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -68.75 -44.15 74.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.334 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.99 -32.03 63.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.568 0.223 . . . . 0.0 111.321 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 74.89 -51.57 0.67 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.38 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.3 t -98.74 112.29 62.34 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.722 0.296 . . . . 0.0 110.788 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -82.24 137.75 9.62 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.669 2.246 . . . . 0.0 111.575 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.63 132.03 48.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.186 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.8 m -57.24 -36.05 70.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.576 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -62.07 -54.19 44.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.7 m -57.7 -41.49 81.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.57 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.76 -45.08 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.961 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -59.81 -47.91 83.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.844 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.0 m -57.11 -42.04 80.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -64.59 -46.48 82.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.437 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.6 mm -65.47 -37.6 80.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -58.74 -47.34 84.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.384 . . . . 0.0 111.12 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -72.45 -36.13 68.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.537 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.27 -33.23 75.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.309 0.576 . . . . 0.0 109.881 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -62.0 -34.22 75.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.133 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -61.27 -46.21 91.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.545 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -61.15 -31.08 70.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.0 mt -75.99 -27.27 57.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.2 t -70.86 -51.14 38.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.147 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -65.25 -25.54 67.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.596 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -83.26 -6.23 59.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.377 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.59 27.6 73.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.524 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 120.746 0.307 . . . . 0.0 111.577 -179.533 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 121.043 0.449 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -63.95 -35.02 79.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -58.16 -30.81 66.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.933 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 86.9 mt -67.92 -48.16 76.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.701 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -66.71 -37.67 85.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.614 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -60.21 -33.38 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.05 -41.62 58.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.044 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -65.56 -35.43 80.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.18 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -66.74 -19.38 65.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.435 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 95.2 t -71.12 -33.69 52.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.978 0.418 . . . . 0.0 110.049 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -74.77 -26.37 59.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -80.92 139.39 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.34 8.18 19.52 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -139.85 -34.35 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.784 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.17 35.87 3.53 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -88.91 -29.47 19.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.502 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.05 20.69 45.16 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.394 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -128.74 127.11 41.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.757 0.313 . . . . 0.0 111.683 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.0 pt -134.82 179.59 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.952 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 43.0 p -91.99 166.48 12.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.747 0.308 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.48 -34.59 76.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.403 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.35 84.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.112 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.1 -47.95 63.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.536 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.6 tp -51.54 -48.36 63.06 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.39 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -28.95 69.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.913 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -77.51 -26.76 51.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.132 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 11.6 t -69.3 -42.68 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 96.2 mtp -59.82 -42.38 93.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.105 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -43.8 72.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.734 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -66.96 -21.22 65.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.43 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.89 -16.41 61.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.44 11.99 43.03 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.321 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -69.81 137.22 51.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.902 0.382 . . . . 0.0 110.42 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -100.16 16.24 24.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.336 0.589 . . . . 0.0 110.214 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 tp -68.9 134.89 50.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.945 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 39.4 p -70.96 157.39 38.27 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.035 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -58.99 -35.53 73.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.234 0.54 . . . . 0.0 109.69 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -61.42 -43.72 98.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.521 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -63.16 -35.49 80.46 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.973 0.416 . . . . 0.0 110.624 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 39.0 t -74.36 -39.24 48.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -58.27 -37.53 75.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.063 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -62.48 -41.48 98.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.342 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mtt -66.77 -37.63 84.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.269 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.72 -30.27 49.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.245 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -84.56 -0.66 54.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.844 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -115.36 11.46 16.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.96 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -139.57 159.19 42.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.654 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -76.66 93.38 3.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.755 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 30.3 mt -126.52 -63.94 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.801 0.334 . . . . 0.0 111.086 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -71.48 108.71 5.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.763 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 105.51 12.63 26.24 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.55 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -117.4 -84.13 0.64 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.526 -0.397 . . . . 0.0 111.59 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 159.9 -50.99 0.37 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.853 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -143.72 149.79 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.898 0.349 . . . . 0.0 111.213 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -119.99 146.39 24.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.128 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -94.28 133.91 37.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -69.36 -17.2 63.67 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -54.06 -53.18 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.564 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -60.73 -48.26 82.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -60.0 -42.92 95.3 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.42 -42.4 93.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -67.58 -37.92 83.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.207 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 82.9 mtp -67.79 -43.38 79.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.32 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 19.8 ptp -71.69 -18.31 62.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.8 p -91.46 -17.43 25.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.813 0.34 . . . . 0.0 111.263 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.15 -0.05 50.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.561 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 40.0 mttm . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.867 179.53 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.798 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -27.34 69.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.99 0.424 . . . . 0.0 111.499 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -63.92 -19.02 64.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.023 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -67.23 -30.21 70.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.96 0.41 . . . . 0.0 110.695 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.3 tpt -64.02 -52.95 57.08 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.324 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.18 -34.32 77.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.22 -50.2 74.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.446 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -66.67 -43.53 84.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.62 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -61.28 -49.24 77.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.514 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.7 t -66.82 -41.96 86.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.652 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -64.08 -34.79 78.84 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.875 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.39 -16.72 64.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.227 0.537 . . . . 0.0 110.872 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.8 mmt -93.33 -39.06 11.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.693 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 p -77.81 -22.92 49.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.763 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -10.75 27.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.044 0.45 . . . . 0.0 111.41 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -81.36 -11.36 59.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.411 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -104.55 -169.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.307 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' C ' ' H ' ' A' ' 23' ' ' VAL . 1.4 pp20? -135.08 150.76 50.3 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 74.51 -12.56 0.89 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.086 0.47 . . . . 0.0 110.829 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.419 ' H ' ' C ' ' A' ' 21' ' ' GLU . 6.1 t -115.65 90.43 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.069 0.461 . . . . 0.0 111.317 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -118.31 133.54 55.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.792 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.6 mt -88.39 104.84 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.249 0.547 . . . . 0.0 111.719 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -103.09 -48.53 4.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.295 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -142.78 145.06 32.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.119 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -61.66 -20.05 62.99 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 m -107.47 -41.17 5.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.773 0.32 . . . . 0.0 111.588 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -74.59 -29.99 61.53 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -97.79 -9.09 27.13 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -107.56 9.48 29.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.807 0.337 . . . . 0.0 111.551 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.89 -31.97 66.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.442 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.52 -29.31 56.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.35 -15.47 61.18 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.351 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.1 mmm -61.12 -24.59 66.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.809 0.338 . . . . 0.0 111.725 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.65 81.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.435 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -65.44 -50.82 63.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.971 0.415 . . . . 0.0 110.78 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -35.59 79.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.44 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.42 97.48 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.801 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.1 tp -72.19 -42.55 65.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.34 -42.2 94.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.955 0.407 . . . . 0.0 110.399 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -65.94 -24.59 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.879 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.12 -36.22 81.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.219 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -98.8 -40.88 7.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.776 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -111.56 95.22 26.25 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.781 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.81 -27.7 17.62 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.848 2.365 . . . . 0.0 111.97 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -82.19 -11.5 58.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.51 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.67 -61.14 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.93 0.395 . . . . 0.0 111.483 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -167.0 154.94 9.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.535 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -80.23 121.26 25.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.943 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -73.81 -27.52 61.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.303 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.5 -22.21 57.35 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.158 0.504 . . . . 0.0 110.413 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -91.6 4.34 52.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.79 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.5 mt -101.39 138.49 38.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.431 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -122.69 152.5 62.16 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.621 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.68 -27.96 68.87 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.011 2.474 . . . . 0.0 114.357 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.69 -33.62 76.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.951 0.405 . . . . 0.0 110.823 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -84.88 29.27 0.64 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.726 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -53.29 -34.32 56.86 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -39.56 89.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.119 0.485 . . . . 0.0 110.464 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -79.78 -33.1 40.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.835 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -59.87 -50.64 72.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.502 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -57.87 -47.34 83.02 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.978 178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.3 m -59.77 -48.62 80.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.758 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.6 tp -60.3 -46.47 89.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.405 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.26 -50.65 69.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.31 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -59.69 -46.96 87.48 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.9 p -63.79 -48.98 74.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.722 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.3 m -62.34 -34.39 76.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.343 . . . . 0.0 110.815 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.61 73.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.123 0.487 . . . . 0.0 110.193 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -87.11 -38.38 16.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.002 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -69.72 -33.48 72.54 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 74.0 mt -107.0 -34.96 7.02 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.57 -5.32 17.61 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 61.98 28.27 17.16 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.456 0.472 . . . . 0.0 111.741 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.0 t -62.7 159.74 15.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.009 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.82 131.51 44.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.902 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -76.59 84.71 3.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.001 0.429 . . . . 0.0 110.144 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 82.7 mt -86.88 -10.75 52.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.522 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.9 mt -135.5 154.51 51.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.124 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.14 142.18 34.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.867 0.365 . . . . 0.0 110.776 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.14 -58.93 5.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.499 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.68 -37.38 78.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.651 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.03 -50.52 71.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.436 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.3 mtp -62.86 -37.38 86.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.5 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.85 -41.21 87.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.861 0.363 . . . . 0.0 110.289 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -66.18 -50.41 64.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.909 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.03 -42.97 88.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 70.15 -5.05 1.38 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.448 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.4 t -137.16 102.08 9.12 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -80.88 156.38 20.6 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.535 2.157 . . . . 0.0 112.286 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.66 135.78 33.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.1 m -58.56 -37.22 75.27 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -64.56 -50.09 68.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.325 . . . . 0.0 111.023 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 33.9 m -60.94 -43.85 98.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.007 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.25 -39.82 86.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.525 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -58.35 -45.01 88.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.3 m -65.14 -38.49 90.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.351 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -62.55 -44.26 96.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.602 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 47.3 mm -69.18 -36.88 75.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.469 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -54.55 42.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.386 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -62.16 -33.87 75.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 57.9 tp -67.18 -47.98 69.32 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -60.6 -43.75 97.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.613 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -55.03 -46.77 75.3 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.247 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.9 m -67.18 -41.76 85.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.536 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.96 -38.35 88.19 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.809 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 51.3 t -69.35 -42.74 81.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -38.24 84.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.989 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -83.54 -7.99 59.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.249 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.31 30.57 66.95 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.553 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 61.0 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 120.915 0.388 . . . . 0.0 111.207 -179.571 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.97 0.414 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 30.5 mp0 -56.55 -40.98 76.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.574 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -60.86 -41.64 96.28 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.053 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.16 -48.08 89.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.409 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 37.8 mtp85 -62.76 -40.99 99.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.474 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -60.89 -48.76 80.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.705 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.01 74.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.137 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -67.97 -34.28 76.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.929 0.395 . . . . 0.0 111.495 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -66.51 -34.79 78.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.406 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 64.3 t -69.07 -29.67 43.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.295 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -72.98 -25.81 61.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -85.57 158.69 20.07 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -128.45 -0.1 5.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.909 0.385 . . . . 0.0 111.399 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.95 -38.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.235 0.54 . . . . 0.0 110.256 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.38 57.19 0.72 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -117.18 -32.44 5.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.852 0.358 . . . . 0.0 110.69 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.51 15.26 60.39 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.172 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -96.98 116.31 28.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.697 0.284 . . . . 0.0 111.397 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.4 pt -139.13 157.67 28.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.147 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.99 172.37 9.17 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.84 74.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.0 -55.83 29.88 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.334 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -59.93 -50.48 73.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.696 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 24.1 tp -52.54 -50.92 61.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.955 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -60.22 -41.41 93.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.36 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -68.23 -36.58 79.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.758 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.4 -48.59 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.693 0.282 . . . . 0.0 110.443 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 78.5 mtp -58.01 -41.35 82.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.804 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.91 -34.4 64.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.915 0.388 . . . . 0.0 111.397 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -74.82 -19.81 60.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 111.221 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.55 -18.6 62.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.251 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.4 -0.66 40.17 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.199 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -61.27 123.63 18.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.733 0.301 . . . . 0.0 110.676 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -91.57 33.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.623 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -79.44 148.22 32.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.191 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.85 154.79 41.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.159 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -35.78 79.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.281 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -65.85 -31.72 72.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.154 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.08 -44.77 91.36 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 4.0 t -64.87 -45.41 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.393 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -47.92 83.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.134 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -63.53 -39.73 95.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.58 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 70.7 mtm -68.89 -36.32 77.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.093 0.473 . . . . 0.0 110.389 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 31.2 mt -66.03 -31.96 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -75.99 -6.96 53.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.786 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -98.85 -1.74 39.48 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -115.7 160.78 19.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.058 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -82.99 59.41 4.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.604 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 44.8 mt -94.81 -54.01 7.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.322 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -73.65 124.27 25.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.057 0.456 . . . . 0.0 111.306 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.22 3.14 65.48 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.632 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.52 -72.89 0.66 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.603 0.24 . . . . 0.0 111.484 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 157.15 -104.98 0.26 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.236 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -104.74 155.18 19.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.728 0.299 . . . . 0.0 110.199 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 16.3 m -127.65 173.39 13.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.162 0.506 . . . . 0.0 111.227 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -101.39 137.27 39.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.885 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -67.9 -17.14 64.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -55.19 -42.11 72.82 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.12 -49.54 76.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.961 0.41 . . . . 0.0 111.062 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -65.11 -30.96 71.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.99 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.38 -44.39 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -66.06 -38.02 87.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.151 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 57.2 mtt -66.09 -46.42 77.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.467 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 62.2 mtm -60.89 -36.12 78.42 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.2 p -79.65 -5.31 54.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.173 0.511 . . . . 0.0 111.562 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -117.38 11.95 14.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.207 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 73.6 tttt . . . . . 0 C--O 1.248 1.011 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.84 -179.711 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.835 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -29.21 70.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.025 0.44 . . . . 0.0 111.39 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -65.04 -27.56 68.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.08 -36.62 83.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.05 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -62.63 -51.58 66.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.231 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.37 -36.68 83.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.2 tp -64.41 -46.6 82.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.434 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -61.17 -43.9 98.15 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.966 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -60.36 -52.86 63.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.79 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.4 m -67.51 -47.78 68.98 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -58.08 -37.01 73.67 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.16 90.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.018 0.437 . . . . 0.0 110.677 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.0 mtt -81.63 -22.67 37.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.329 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.5 m -64.24 -29.9 70.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.228 0.537 . . . . 0.0 110.64 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -67.94 -8.5 37.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.829 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.9 -3.49 59.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.962 0.41 . . . . 0.0 110.377 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -121.22 -174.62 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.761 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.08 150.25 50.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.509 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 69.35 8.45 6.8 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.724 0.64 . . . . 0.0 111.921 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.8 t -120.41 117.35 53.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -131.03 103.61 6.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.28 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.1 mt -92.83 104.65 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -101.8 -34.46 9.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.857 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -148.75 165.54 31.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.391 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -87.58 68.57 9.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.819 0.342 . . . . 0.0 110.823 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.3 p -167.01 -91.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.592 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -37.46 82.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.191 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.2 m -69.16 -10.85 59.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.042 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -106.74 -3.65 20.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.149 -0.221 . . . . 0.0 111.503 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.8 m -67.87 -15.14 63.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.166 0.508 . . . . 0.0 111.235 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -20.41 58.5 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.69 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.29 -44.36 2.41 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.356 -0.449 . . . . 0.0 112.858 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.6 mmm -50.59 -31.75 16.79 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.477 0.711 . . . . 0.0 112.481 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.28 -38.69 71.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -66.27 -52.11 50.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.024 0.44 . . . . 0.0 110.738 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.6 m -64.57 -32.97 74.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.617 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.18 87.64 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 110.672 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.3 tp -64.3 -48.29 76.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.572 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.1 mm -60.07 -41.42 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.006 0.431 . . . . 0.0 110.839 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -64.79 -21.79 66.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.533 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -34.56 64.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.732 0.301 . . . . 0.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -92.97 -39.58 11.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -120.79 83.21 35.91 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.515 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -73.33 -15.43 25.21 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.674 2.25 . . . . 0.0 111.436 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -87.29 -2.36 58.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.009 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.24 -66.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.65 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -151.37 162.37 41.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.504 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -84.57 125.97 32.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.373 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -74.38 -29.7 61.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.752 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.11 -21.07 60.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.762 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -88.82 2.31 53.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.91 0.386 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.2 mt -92.88 102.02 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.098 0.475 . . . . 0.0 110.376 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.23 152.44 50.29 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.523 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -59.57 -24.01 73.4 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.047 2.498 . . . . 0.0 112.311 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.16 -11.25 58.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.044 0.45 . . . . 0.0 110.768 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -97.8 23.76 7.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.114 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -55.26 -40.89 71.51 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -62.73 -45.47 92.56 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -70.42 -30.9 67.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.245 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -59.91 -51.9 67.74 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.825 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -58.65 -45.5 89.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.876 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -62.82 -43.72 98.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.51 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 tp -59.59 -49.56 77.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.969 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.49 -52.07 66.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.96 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -67.15 -54.85 17.4 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.7 m -60.3 -39.48 87.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.1 m -72.85 -43.52 62.51 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.295 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.25 93.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.309 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.96 -37.56 86.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.309 0.576 . . . . 0.0 110.185 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -71.97 -29.15 63.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.567 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -92.38 -50.82 5.44 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.86 19.5 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 40.02 62.77 1.19 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 23.3 p -75.43 146.94 40.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.718 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.09 114.58 8.39 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -72.27 78.42 0.99 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.261 0.553 . . . . 0.0 111.23 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.6 mt -91.71 10.88 26.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 mt -142.06 138.06 31.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.6 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -107.38 138.49 43.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.081 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.0 t -57.73 -58.33 6.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.376 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.64 -47.27 70.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.96 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.79 -45.24 93.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.694 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 82.1 mtp -65.31 -39.11 92.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.22 -36.69 73.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.085 0.469 . . . . 0.0 109.995 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -67.21 -48.64 67.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.517 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.7 mt -78.05 -33.66 50.85 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 75.06 -50.36 0.66 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.523 0.729 . . . . 0.0 111.626 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.7 t -101.35 109.27 58.38 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -75.26 173.93 13.66 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.847 2.364 . . . . 0.0 111.259 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -94.6 144.72 25.37 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.971 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m -63.4 -35.71 81.3 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -68.55 -38.94 81.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.946 0.403 . . . . 0.0 110.702 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 27.5 m -65.6 -48.14 73.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.01 -43.09 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -56.18 -48.52 76.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.4 m -68.04 -37.55 81.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.723 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.24 -46.53 86.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.051 0.453 . . . . 0.0 110.673 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 51.2 mm -71.66 -31.18 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.137 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -55.91 -58.29 8.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.961 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.92 -34.63 78.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.477 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.5 tp -61.86 -45.77 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.994 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -59.11 -46.58 87.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.851 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -57.61 -40.94 80.27 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.194 0.521 . . . . 0.0 110.99 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 m -67.54 -26.32 66.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.803 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.57 -21.09 24.25 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.49 -56.4 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.541 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.64 -16.59 63.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.884 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -87.7 -13.87 41.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.97 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 77.62 8.84 87.16 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.995 -0.621 . . . . 0.0 113.052 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.5 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 110.991 -179.516 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.762 0.315 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 40.0 mp0 -58.46 -49.68 76.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.702 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -58.29 -39.4 79.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.629 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 49.5 mt -63.1 -48.08 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.975 0.417 . . . . 0.0 109.935 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -69.84 -33.14 71.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.057 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.66 -38.93 92.99 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.09 95.72 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.025 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -68.33 -34.6 76.41 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -66.38 -23.89 66.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.444 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 96.5 t -64.75 -33.21 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -76.42 -42.2 44.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.556 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -62.46 152.03 35.59 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.39 -0.83 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -134.21 -13.26 2.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.58 53.69 3.73 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -107.47 -31.35 8.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.892 0.377 . . . . 0.0 110.799 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.44 11.92 68.12 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.783 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -116.43 121.95 43.37 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.937 0.399 . . . . 0.0 111.073 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.2 pt -136.07 -173.95 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.685 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 60.6 p -106.0 172.19 6.94 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.81 -29.55 68.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.156 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.98 -51.88 66.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.195 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -67.31 -41.28 85.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.007 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.41 -54.11 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.081 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -70.14 -6.16 32.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -96.6 -13.48 22.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.201 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.4 t -78.19 -56.45 7.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.4 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -56.04 -38.76 70.99 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.414 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.35 -35.25 75.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.071 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -77.81 -27.42 50.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.952 0.406 . . . . 0.0 110.752 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.24 -25.42 62.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.254 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.99 10.0 50.46 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.541 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.79 128.44 36.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.297 . . . . 0.0 110.965 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -76.43 66.64 2.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.669 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 15.1 tp -113.8 125.46 54.11 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.031 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 10.7 p -70.3 148.42 48.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.027 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -60.09 -25.88 65.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.082 0.467 . . . . 0.0 110.297 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.09 -48.26 79.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.049 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -67.75 -38.21 83.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.554 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.54 -45.31 98.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -33.87 76.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.977 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.41 -44.21 79.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.135 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 67.5 mtt -63.82 -43.3 96.65 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.257 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 38.3 mt -61.83 -31.41 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.993 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -28.23 39.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.548 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -69.97 -41.58 74.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.392 . . . . 0.0 110.191 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.42 154.18 22.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.453 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -78.25 85.37 4.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.348 0.594 . . . . 0.0 111.343 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 27.3 mt -107.37 -57.64 4.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.766 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.33 125.2 25.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.856 0.36 . . . . 0.0 110.7 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.06 -22.91 30.39 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.385 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -91.47 -79.22 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.205 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 130.08 -34.38 2.74 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.019 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -134.21 122.17 22.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.959 0.379 . . . . 0.0 111.045 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 9.7 m -118.28 136.25 56.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.29 0.567 . . . . 0.0 112.301 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.01 127.6 33.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.98 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -67.91 -16.53 64.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.095 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -47.95 -56.56 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -54.22 -41.66 68.92 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -66.76 -39.45 87.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.857 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.38 -48.39 81.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.403 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -59.78 -41.78 91.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.764 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 1.4 ttm -59.59 -44.74 93.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.199 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 67.2 mtm -63.35 -43.47 97.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.376 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 4.4 m -68.99 -17.41 63.92 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.022 0.439 . . . . 0.0 111.335 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.22 -7.4 48.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.07 0.462 . . . . 0.0 111.019 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.142 179.899 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.626 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.17 -35.16 79.38 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 122.594 0.357 . . . . 0.0 111.383 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -64.29 -36.99 85.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.916 0.389 . . . . 0.0 110.481 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -75.32 -32.64 61.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -58.52 -51.71 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.927 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.8 mt -68.38 -34.79 76.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.452 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.6 tp -60.94 -49.41 77.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.649 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -62.61 -42.69 99.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.97 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -56.54 -49.87 73.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.077 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.8 m -70.89 -37.0 72.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.671 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -58.46 -35.14 71.7 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.56 -37.32 85.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.114 0.483 . . . . 0.0 110.622 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.1 mtt -77.72 -25.62 49.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.725 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -65.17 -26.35 68.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.134 0.492 . . . . 0.0 110.473 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -73.87 -3.85 31.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.77 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -102.19 -11.22 18.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.381 . . . . 0.0 111.405 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -104.4 -175.01 2.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.415 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -135.28 143.82 46.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.669 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 68.03 19.06 9.4 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.651 0.594 . . . . 0.0 111.395 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.4 t -125.83 126.25 69.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.32 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -140.97 114.44 8.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.791 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 66.2 mt -99.25 111.89 30.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -95.25 -42.28 8.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.434 0.635 . . . . 0.0 109.429 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -157.35 -176.74 6.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.609 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -90.8 56.69 3.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.857 0.361 . . . . 0.0 110.677 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 p -151.93 -94.53 0.05 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -35.22 70.29 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -178.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.78 -14.26 62.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.909 0.385 . . . . 0.0 111.887 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -107.65 4.1 25.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.416 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.0 m -72.44 -15.72 61.82 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.029 0.442 . . . . 0.0 111.174 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -16.47 31.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.83 -36.93 2.66 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.22 -0.515 . . . . 0.0 112.749 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 mmt -46.68 -37.67 8.68 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.07 -34.81 61.08 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -69.1 -53.79 18.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.843 0.354 . . . . 0.0 110.681 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 m -62.83 -33.07 74.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.795 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.78 -46.05 92.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.554 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.63 -45.69 78.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.695 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.7 mm -62.48 -43.23 98.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.029 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -63.17 -30.49 71.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.652 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -68.47 -41.55 79.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.022 0.439 . . . . 0.0 110.661 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -84.23 -35.5 23.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.984 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -121.99 93.49 48.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 120.837 0.351 . . . . 0.0 111.487 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -72.72 -13.66 27.01 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.904 2.402 . . . . 0.0 110.935 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -93.65 -1.85 54.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.887 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.08 -61.08 2.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.855 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -165.9 164.7 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.531 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -88.85 113.76 24.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -65.94 -24.44 66.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.463 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.22 -21.33 61.41 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -94.9 4.37 53.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.43 0.633 . . . . 0.0 110.79 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -93.15 125.63 37.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.918 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -116.24 150.37 45.16 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.363 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.82 -22.54 74.56 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.018 2.478 . . . . 0.0 111.98 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.68 -21.18 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.391 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -98.11 50.95 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -62.27 -47.16 85.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.998 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -61.85 -44.56 96.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.133 0.492 . . . . 0.0 110.205 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -35.14 79.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.77 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -60.08 -50.11 75.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.444 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -63.4 -44.19 95.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.578 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.2 m -60.36 -53.57 55.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.739 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.6 tp -56.39 -46.81 79.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.539 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.05 -55.94 28.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.76 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -60.82 -49.72 76.34 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.0 m -59.92 -43.04 95.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.5 m -68.71 -40.29 80.03 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.15 77.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.902 0.382 . . . . 0.0 110.314 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -74.13 -42.02 60.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.371 0.605 . . . . 0.0 110.217 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.47 -43.96 62.98 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.9 mt -96.48 -28.02 14.61 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.12 0.13 12.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 45.26 43.05 7.76 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 16.6 p -85.51 153.54 22.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.076 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.53 145.55 39.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.894 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -103.22 89.86 3.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.803 0.335 . . . . 0.0 111.452 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.83 -12.97 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.355 0.598 . . . . 0.0 110.654 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.6 mt -122.03 140.27 52.69 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -111.96 142.28 44.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.131 0.491 . . . . 0.0 111.66 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.1 t -52.37 -49.39 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.137 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -38.18 78.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -33.74 32.96 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.133 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.4 mtp -65.12 -45.75 83.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.693 0.282 . . . . 0.0 111.697 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -69.0 -25.42 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.234 0.54 . . . . 0.0 110.626 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -81.86 -49.44 10.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.694 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 70.5 mt -71.41 -39.78 70.9 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 74.61 -44.22 0.55 Allowed 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.737 0.648 . . . . 0.0 112.397 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.43 106.34 35.41 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -72.19 157.96 52.9 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.069 2.513 . . . . 0.0 112.521 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.81 132.42 33.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.573 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.6 m -57.51 -38.1 74.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.419 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -71.43 -50.8 28.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.935 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 85.8 m -56.84 -45.38 82.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.199 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.71 -42.93 96.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.982 0.42 . . . . 0.0 109.968 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.44 -48.83 79.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.5 m -60.01 -36.12 76.53 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 111.188 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -65.7 -49.49 68.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.119 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 48.3 mm -66.93 -32.59 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.033 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -57.85 -56.73 18.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.187 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.29 -36.12 82.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.0 -42.44 97.18 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -58.75 -42.52 89.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.846 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -56.66 -51.5 68.49 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.983 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.0 m -62.19 -41.82 98.71 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.071 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.38 -36.86 85.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.382 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.3 t -73.79 -46.21 47.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.244 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -66.07 -27.63 68.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.903 0.382 . . . . 0.0 111.942 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -87.51 3.6 46.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.982 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 63.68 31.81 82.04 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.958 -0.564 . . . . 0.0 113.516 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 98.0 mt . . . . . 0 C--N 1.324 -0.504 0 CA-C-O 120.857 0.36 . . . . 0.0 110.868 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.56 -31.82 68.34 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.141 0.496 . . . . 0.0 110.343 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 40.1 mp0 -60.53 -32.53 71.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.482 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.69 -41.53 13.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.1 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 16.3 ttp85 -59.91 -46.79 88.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.939 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.46 -41.48 96.49 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.59 91.68 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.627 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -65.81 -36.1 82.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.663 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 33.7 ttt-85 -69.53 -24.57 63.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 84.4 t -66.38 -25.17 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.324 0.583 . . . . 0.0 109.678 178.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -82.47 -21.42 35.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.3 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -75.35 118.59 18.41 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -102.17 3.39 38.37 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.92 -30.29 2.03 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.551 -0.46 . . . . 0.0 112.236 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.56 73.72 1.23 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.05 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -156.61 -14.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.65 0.262 . . . . 0.0 111.678 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.9 9.1 66.38 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.869 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -102.17 126.54 49.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.408 -0.396 . . . . 0.0 110.509 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 16.4 pt -133.68 176.92 7.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.147 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.09 159.06 16.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.141 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.95 -20.37 65.88 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.97 -58.54 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.856 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -68.84 -31.2 69.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 43.0 tp -52.54 -51.87 57.59 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.391 0.432 . . . . 0.0 111.778 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -68.56 -25.78 65.07 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.999 0.428 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -76.1 -25.39 55.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.081 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.72 -47.26 83.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 72.9 mtp -62.19 -39.82 94.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.395 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.29 -38.39 68.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.153 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.15 -37.76 81.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.23 -21.49 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.047 0.451 . . . . 0.0 110.91 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.96 36.67 7.6 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.332 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.07 146.79 49.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.7 0.286 . . . . 0.0 110.365 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -95.75 14.98 21.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.101 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 tp -76.33 133.51 39.96 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 54.4 p -69.55 155.93 39.7 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.785 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.77 -31.58 69.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.075 0.464 . . . . 0.0 110.051 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -65.69 -46.61 78.37 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.905 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -60.5 -38.31 83.92 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.802 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.95 -46.73 95.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -36.22 82.86 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.188 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.64 -44.46 96.37 Favored 'General case' 0 N--CA 1.458 -0.068 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.936 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 50.5 mtt -66.07 -39.1 89.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.778 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 67.2 mt -57.85 -40.98 78.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.123 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -76.67 -17.69 58.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.976 -0.557 . . . . 0.0 112.014 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -82.97 -36.92 24.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.064 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.9 -165.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.566 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -112.73 108.79 17.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.237 0.541 . . . . 0.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 52.1 mt -134.8 -72.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.606 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -71.04 130.57 41.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.062 0.458 . . . . 0.0 110.283 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.32 6.91 88.31 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.753 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.05 -13.21 9.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.88 0.371 . . . . 0.0 111.592 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.83 -95.11 1.44 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.558 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -110.52 167.62 10.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -112.31 148.6 15.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.366 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -107.11 150.58 26.41 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -93.11 -14.43 27.26 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.75 -47.4 84.79 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -63.22 -40.92 98.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.926 0.393 . . . . 0.0 111.045 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -66.39 -42.95 87.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.243 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 77.0 t -61.36 -47.01 95.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.695 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -58.72 -43.09 90.05 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.061 0.458 . . . . 0.0 110.61 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 47.1 ttp -65.01 -36.72 85.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 25.7 ttm -69.7 -42.02 74.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.463 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 2.9 p -72.78 -34.63 67.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.88 0.371 . . . . 0.0 111.905 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.83 75.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.569 -179.839 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.625 0 N-CA-C 112.682 -0.167 . . . . 0.0 112.682 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 p -68.8 -32.46 72.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.184 0.516 . . . . 0.0 110.985 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -62.78 -31.86 72.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.638 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -61.42 -36.36 80.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.757 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.8 ttt -58.95 -52.1 67.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.652 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.47 -34.65 74.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.895 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.5 tp -60.1 -55.61 31.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.887 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -63.97 -36.52 84.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.802 0.334 . . . . 0.0 111.044 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -56.63 -51.56 68.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.761 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.8 m -75.18 -34.92 61.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.574 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.16 -39.67 72.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.303 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.73 84.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.887 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.6 ptp -78.93 -11.28 60.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m -70.44 -23.8 62.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.27 0.557 . . . . 0.0 109.858 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -80.7 -5.47 57.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.156 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -97.84 -18.4 18.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -104.9 158.98 16.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.279 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -114.21 150.13 34.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.247 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 71.21 17.15 6.07 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.607 0.567 . . . . 0.0 111.444 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -130.93 133.54 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.835 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -145.31 91.97 2.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.051 0.453 . . . . 0.0 110.51 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 61.8 mt -80.12 95.05 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.306 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -92.02 -41.93 10.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.389 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -150.96 152.21 33.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.672 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -75.21 66.89 1.77 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.806 0.336 . . . . 0.0 111.618 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -166.1 -81.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.046 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.78 -30.03 66.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.509 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -82.65 -1.75 52.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -114.18 3.01 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.564 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -74.38 -14.87 60.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.193 0.52 . . . . 0.0 110.357 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -23.29 60.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.09 -44.83 2.89 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.019 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 78.0 mmm -50.06 -29.52 9.02 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.303 0.641 . . . . 0.0 112.681 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.33 -36.37 66.19 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -63.43 -53.18 56.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.948 0.404 . . . . 0.0 111.006 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.9 m -63.99 -34.89 79.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.458 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.01 98.04 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 110.576 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.51 -48.79 73.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.717 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.8 mm -61.8 -37.36 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.025 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -61.06 -26.16 67.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.098 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -72.68 -20.44 61.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.02 0.438 . . . . 0.0 111.417 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -108.44 -42.75 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.513 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -115.37 96.11 44.82 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.658 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.58 -36.68 10.82 Favored 'Trans proline' 0 CA--C 1.526 0.12 0 C-N-CA 122.568 2.179 . . . . 0.0 110.889 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -87.94 30.3 0.86 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.389 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.06 -49.04 6.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.387 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -167.69 172.7 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.634 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -98.19 115.8 29.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.783 0.325 . . . . 0.0 110.428 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -72.73 -27.61 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.852 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.32 -19.41 60.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.046 0.45 . . . . 0.0 110.27 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -91.12 -6.86 53.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.896 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.0 mt -84.59 118.75 24.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.009 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.14 153.16 37.93 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.173 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -64.54 -20.79 66.03 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.518 2.145 . . . . 0.0 110.662 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.3 1.78 56.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.475 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -107.7 29.01 7.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.214 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -59.03 -38.97 80.52 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.774 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -34.86 77.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.001 0.429 . . . . 0.0 110.393 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -82.69 -34.1 27.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.399 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -57.59 -49.58 75.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.812 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -58.61 -54.24 49.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.076 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -40.14 93.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.512 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.51 -50.74 71.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.524 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.01 -50.15 73.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.222 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -58.93 -54.51 46.29 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -60.92 -38.1 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m -69.46 -42.68 74.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.217 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.41 -39.74 89.17 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.516 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -71.95 -21.18 61.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.082 0.467 . . . . 0.0 110.799 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -87.79 -48.44 7.83 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.0 mt -90.24 -45.12 9.28 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.23 -5.3 44.1 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 42.97 50.67 5.32 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.1 p -78.74 172.71 13.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.462 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.7 125.42 40.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.756 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -74.64 82.26 2.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.9 mt -86.68 -4.44 59.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.79 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.44 152.06 51.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.834 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -114.01 146.88 39.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.101 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.8 t -63.42 -51.96 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.67 -42.65 83.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.79 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.36 -46.9 78.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.664 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 58.1 mtp -62.08 -37.61 85.71 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.8 t -72.85 -37.15 53.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.274 0.559 . . . . 0.0 110.049 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -69.33 -46.45 67.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.582 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.36 -33.44 42.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.812 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 74.91 -51.52 0.67 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.347 0.659 . . . . 0.0 112.054 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.1 t -101.89 107.06 50.66 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.72 158.92 52.22 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.358 2.038 . . . . 0.0 111.773 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -84.83 130.03 34.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 m -55.49 -45.08 77.05 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -62.97 -36.22 82.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.85 0.357 . . . . 0.0 111.076 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.5 m -69.29 -43.16 74.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.95 0.405 . . . . 0.0 110.543 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.45 -37.25 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.56 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -53.33 -51.68 61.63 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.326 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 m -66.63 -34.62 78.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.516 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -63.2 -50.26 70.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 109.996 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.1 mm -65.46 -37.79 80.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.868 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -58.44 -47.44 83.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.455 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -69.67 -45.32 68.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.767 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.1 tp -56.93 -42.22 79.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -57.27 -42.67 82.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.717 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -59.7 -47.49 85.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.534 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -61.56 -41.86 98.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.24 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.8 mt -67.87 -25.81 65.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.476 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 42.6 t -73.73 -54.4 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.851 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -65.4 -25.6 67.62 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -82.53 -7.43 59.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.793 0.33 . . . . 0.0 110.972 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.49 48.93 33.87 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.8 mt . . . . . 0 C--N 1.327 -0.409 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.77 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.73 -37.8 74.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.828 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -62.03 -42.28 99.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.95 0.405 . . . . 0.0 110.017 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 67.6 mt -64.98 -46.01 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.024 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 60.6 mtp85 -60.71 -45.58 93.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -66.25 -39.99 89.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.02 -48.16 70.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.897 0.38 . . . . 0.0 111.231 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -73.51 -31.37 63.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.081 0.467 . . . . 0.0 110.529 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -65.99 -33.15 75.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.021 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.42 -35.68 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.954 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -72.62 -29.17 63.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.254 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -81.3 120.21 24.64 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -101.72 5.17 41.23 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.49 -12.78 3.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.87 55.71 4.78 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.609 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -107.81 -35.39 6.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.937 0.399 . . . . 0.0 110.549 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.72 -9.71 64.27 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.718 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -107.3 120.22 41.53 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.866 0.365 . . . . 0.0 110.655 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 21.1 pt -124.69 173.95 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.099 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 25.8 p -86.93 160.98 18.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.67 -30.44 71.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.62 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.38 -51.1 62.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.014 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.63 -45.59 86.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.615 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.76 -51.25 69.63 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.942 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -61.37 -31.93 71.84 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.065 0.46 . . . . 0.0 110.481 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -72.49 -37.28 68.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.631 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 48.0 t -62.5 -46.19 96.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.541 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 87.7 mtp -56.6 -42.81 79.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.428 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.03 -38.76 56.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.658 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -65.05 -23.45 67.18 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.652 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 31.9 mt -78.55 -10.65 59.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.673 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.38 15.15 74.75 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.233 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -64.44 127.21 30.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.684 0.278 . . . . 0.0 110.622 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -78.75 82.43 4.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 11.4 tp -134.61 127.98 32.28 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.613 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.18 153.45 37.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.781 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -39.48 79.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.78 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -62.5 -36.23 81.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.945 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -60.68 -48.32 82.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.068 0.461 . . . . 0.0 109.83 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 26.3 t -64.5 -43.88 96.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.125 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -41.94 95.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.482 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -63.29 -42.86 99.11 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.731 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 60.1 mtt -63.37 -38.31 90.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.948 0.404 . . . . 0.0 110.18 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.22 -35.85 73.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.167 0.508 . . . . 0.0 109.927 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -71.14 -17.06 62.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.533 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -95.68 -22.66 17.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.48 156.18 18.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.012 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -80.17 50.39 1.23 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.028 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 61.1 mt -83.18 -49.38 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.262 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -74.82 126.68 31.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.917 0.389 . . . . 0.0 110.734 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.91 -0.45 55.11 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -125.34 -174.39 3.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.558 -0.321 . . . . 0.0 110.472 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -104.46 -60.5 0.67 Allowed Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.085 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -129.01 155.79 44.83 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 t -127.59 146.86 32.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -78.86 135.73 37.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.167 0.508 . . . . 0.0 111.243 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -79.27 -9.76 59.65 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.19 -54.91 37.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.885 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -56.03 -40.64 73.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -65.04 -46.24 82.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.713 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.58 -42.37 93.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.249 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -64.95 -45.46 85.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.215 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 59.4 mtm -63.88 -39.96 95.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.985 0.422 . . . . 0.0 111.494 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 57.6 mtm -66.4 -33.11 74.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.8 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.3 p -83.06 -13.5 55.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.996 0.427 . . . . 0.0 111.483 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -82.64 -23.12 34.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.351 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.573 -0.727 . . . . 0.0 110.287 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 111.689 -0.564 . . . . 0.0 111.689 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.91 -18.13 7.88 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.525 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 22.2 mt -80.93 79.87 7.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.063 0.459 . . . . 0.0 110.43 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.96 118.38 0.46 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.901 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p -58.42 -44.56 89.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.184 0.516 . . . . 0.0 110.831 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HZ3' ' CG ' ' B' ' 95' ' ' ASP . 4.9 ttmm -64.59 -25.03 67.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -70.97 -35.53 72.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.754 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.9 ttt -61.54 -50.65 71.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.807 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.8 mt -71.52 -29.31 64.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.933 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -59.99 -56.0 27.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.52 -34.94 79.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.7 t90 -60.12 -50.49 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.836 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 m -72.81 -36.12 67.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -63.74 -30.43 71.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.48 77.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.034 0.445 . . . . 0.0 110.211 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.4 mtt -82.67 -20.29 36.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.609 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -67.39 -23.96 65.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.318 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -76.38 -10.28 59.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.388 0.613 . . . . 0.0 110.458 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -106.96 15.47 25.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.232 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -138.45 164.57 29.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.45 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -127.54 158.57 37.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.844 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 68.76 7.12 5.94 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.442 0.639 . . . . 0.0 110.66 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.9 t -131.22 129.97 63.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.119 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -145.2 110.88 5.39 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.0 mt -91.06 95.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.613 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -86.43 -38.14 17.63 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -151.92 159.23 43.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.619 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -80.19 62.19 4.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.698 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -163.58 -86.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.275 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -59.49 -38.76 81.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.098 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -69.74 -10.09 57.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -105.75 3.82 29.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.876 0.369 . . . . 0.0 111.04 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.5 t -72.2 -18.61 61.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.801 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 p -75.2 -21.38 58.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.17 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.41 -41.7 2.52 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.304 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.9 mmm -52.54 -28.71 21.88 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.189 0.596 . . . . 0.0 112.085 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.01 74.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.546 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -66.1 -49.19 68.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.085 0.469 . . . . 0.0 110.401 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.2 m -63.18 -37.62 87.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.797 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.5 95.42 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.661 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.0 tp -66.17 -47.93 72.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.949 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.1 mm -62.55 -41.35 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.984 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -64.45 -29.3 70.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.482 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.06 -34.86 77.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.688 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -89.98 -36.52 14.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.899 0.38 . . . . 0.0 111.269 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -120.3 91.72 46.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -67.64 -26.76 39.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.788 2.325 . . . . 0.0 111.768 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -89.26 8.01 32.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.965 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.97 -55.79 5.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.82 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -164.21 172.39 13.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.266 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -96.91 108.8 21.58 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -66.2 -31.52 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.043 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.7 -18.68 62.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.881 0.372 . . . . 0.0 111.261 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -91.7 -4.73 54.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.26 0.553 . . . . 0.0 110.482 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.68 134.19 33.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.194 0.521 . . . . 0.0 111.773 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -111.36 146.9 35.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.928 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.9 -19.63 64.13 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 122.237 1.958 . . . . 0.0 110.917 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.54 -9.95 58.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.502 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -95.85 26.88 3.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.07 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -55.33 -32.71 62.73 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -37.13 82.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.664 0.268 . . . . 0.0 110.783 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -95.08 -23.09 17.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.763 0.316 . . . . 0.0 110.85 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -56.57 -53.55 56.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.568 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -60.78 -45.32 94.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 111.562 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -62.0 -42.18 98.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.772 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.7 tp -62.61 -47.11 85.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.544 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.43 -54.59 37.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.561 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -60.72 -54.18 48.35 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.5 m -59.13 -45.43 90.94 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.9 m -66.21 -39.71 89.83 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.231 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.91 -35.94 81.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.986 0.422 . . . . 0.0 110.509 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -78.23 -25.6 47.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.198 0.523 . . . . 0.0 110.564 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -79.86 -37.88 33.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.142 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.1 mt -103.94 -18.48 14.59 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.07 11.58 3.91 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 42.72 45.19 4.04 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.5 p -67.85 140.77 56.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.91 118.69 13.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.289 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -77.2 81.28 3.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.233 0.539 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.0 mt -85.96 -18.62 32.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.439 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.9 mt -114.59 160.62 19.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.262 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -125.82 153.94 43.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.765 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 t -66.7 -52.68 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.398 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -59.27 -45.1 92.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.974 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.43 -50.39 74.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.785 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.3 mtp -63.34 -42.44 98.95 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.15 -42.87 85.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.994 0.426 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.8 ttp-105 -64.51 -40.86 96.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.226 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.4 mt -83.06 -30.08 28.32 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.67 -51.83 0.7 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.269 0.628 . . . . 0.0 112.0 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.8 t -110.29 109.73 58.46 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -81.15 160.84 20.48 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.841 2.36 . . . . 0.0 112.093 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -77.57 140.07 39.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.14 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.2 m -61.53 -31.23 71.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.05 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -70.05 -38.53 75.85 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.961 0.41 . . . . 0.0 110.325 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 32.1 m -66.51 -44.68 81.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.115 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.98 -44.3 92.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.271 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.9 -49.94 74.05 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.8 m -61.79 -38.41 87.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.373 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -63.17 -48.92 76.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.942 0.401 . . . . 0.0 110.207 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.5 mm -69.78 -32.19 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.311 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -55.88 -61.96 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.042 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -34.3 77.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.6 tp -62.53 -49.04 76.91 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -56.66 -50.47 72.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.259 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -57.17 -44.09 83.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.057 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.0 m -63.89 -36.37 83.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.226 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.4 mt -72.59 -38.88 67.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.342 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.0 t -70.53 -42.32 78.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.555 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -66.84 -18.97 65.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.083 0.468 . . . . 0.0 111.696 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -99.68 8.36 44.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.092 0.473 . . . . 0.0 110.64 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.16 41.71 94.77 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.616 -0.72 . . . . 0.0 113.784 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 35.8 mt -104.75 -49.3 3.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.917 0.358 . . . . 0.0 111.928 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 91.0 t -69.88 -28.53 37.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-O 120.925 0.393 . . . . 0.0 111.061 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -79.45 56.75 2.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.373 0.606 . . . . 0.0 110.037 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.78 -4.39 50.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.215 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -128.77 106.09 8.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -107.77 106.2 16.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.36 -179.73 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -64.05 -21.89 66.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.056 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 -60.03 -34.37 73.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.002 0.43 . . . . 0.0 110.294 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 48.9 mt -68.84 -42.33 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.755 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -65.62 -45.09 84.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.162 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -62.27 -35.64 79.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.269 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.64 -40.4 83.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.963 0.411 . . . . 0.0 110.391 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -81.42 -29.05 34.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.15 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -65.02 -25.6 67.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.824 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 94.0 t -68.53 -38.15 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -77.09 -44.75 29.42 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.804 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -76.95 94.72 3.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -80.21 15.56 1.51 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.473 ' CG ' ' HZ3' ' A' ' 6' ' ' LYS . 3.7 m-20 -133.5 -27.43 1.54 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.833 0.349 . . . . 0.0 111.355 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.05 52.61 4.0 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -107.15 -33.72 7.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.665 0.269 . . . . 0.0 111.644 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.92 6.64 42.75 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.501 -0.856 . . . . 0.0 113.658 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -124.49 129.31 50.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.843 0.321 . . . . 0.0 111.163 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 pt -138.36 -171.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 5.1 p -92.97 159.94 15.1 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.06 -27.65 65.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.982 0.42 . . . . 0.0 110.426 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.51 -46.29 60.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.302 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.75 -34.78 77.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.261 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -58.28 -49.23 77.87 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.68 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -61.03 -35.62 77.38 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.741 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -66.44 -34.52 78.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.264 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 24.0 t -72.63 -41.81 62.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.964 0.412 . . . . 0.0 110.033 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.81 -41.23 90.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.072 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 3.2 p -78.14 -20.37 52.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.018 0.437 . . . . 0.0 110.939 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -76.35 -33.09 58.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.307 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.28 -14.76 63.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.347 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.67 31.22 54.68 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.084 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.59 152.94 37.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.752 0.31 . . . . 0.0 111.319 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -94.08 30.48 1.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -106.21 143.23 34.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.9 0.381 . . . . 0.0 110.828 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 17.3 p -81.74 163.68 22.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.278 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.56 -36.87 72.22 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.183 0.516 . . . . 0.0 110.004 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -57.62 -48.95 78.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.396 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -63.11 -36.8 84.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 61.6 t -61.73 -46.8 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.93 -31.53 72.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.043 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -61.3 -49.13 78.25 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 66.6 mtt -67.91 -38.49 83.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.048 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 8.7 mt -61.65 -40.69 87.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.83 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 5.3 mtm105 -69.5 -15.26 63.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.383 . . . . 0.0 111.217 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -104.72 18.48 22.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.245 0.545 . . . . 0.0 109.899 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -136.15 179.12 6.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.977 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -93.31 115.86 28.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 34.6 mm -125.7 -70.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.379 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -87.74 63.51 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.379 0.609 . . . . 0.0 110.717 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -138.1 -68.83 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.85 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -103.49 -27.61 12.27 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.58 -23.41 28.28 Favored Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.54 -0.838 . . . . 0.0 114.953 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -112.32 112.69 24.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.509 0.654 . . . . 0.0 111.283 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 39.4 t -94.1 124.6 46.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.083 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.02 115.47 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.677 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -73.54 -19.89 60.79 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.95 -38.7 73.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.161 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -62.1 -40.48 96.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.241 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -71.6 -38.75 70.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.21 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.4 -50.61 79.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.183 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -59.82 -46.08 90.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.924 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 37.1 ttm -59.41 -43.87 92.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.994 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 45.5 mtm -65.46 -38.24 89.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.801 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 38.2 p -74.73 -12.96 60.54 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.47 -24.1 18.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.134 0.492 . . . . 0.0 110.153 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.69 -0.671 . . . . 0.0 109.446 179.581 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -60.7 -37.33 79.86 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.857 2.371 . . . . 0.0 113.049 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.0 mt -104.64 58.22 0.7 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.508 0.67 . . . . 0.0 110.402 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.07 55.48 0.73 Allowed Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.168 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -48.04 79.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.034 0.445 . . . . 0.0 110.654 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -65.67 -26.5 67.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.602 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.34 -32.6 74.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.573 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -60.01 -52.15 66.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.21 -40.7 86.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.49 -50.13 73.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.173 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.55 -45.2 95.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.002 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -63.11 -48.42 78.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t -65.24 -50.82 64.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.453 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -56.07 -32.18 63.86 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 -30.96 72.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.001 0.429 . . . . 0.0 110.817 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.9 mtm -93.37 -40.78 10.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.808 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -65.19 -23.38 67.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.095 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 ttm-85 -64.26 -20.44 66.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.076 0.465 . . . . 0.0 110.832 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -78.92 -19.48 51.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.892 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -94.05 103.71 15.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.664 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -62.42 148.37 45.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.195 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 76.82 -6.23 2.05 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.686 0.616 . . . . 0.0 111.452 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.57 78.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.048 0.451 . . . . 0.0 111.381 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.56 121.32 41.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.014 0.435 . . . . 0.0 110.48 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.6 mt -95.92 111.28 25.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.316 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -91.86 -50.01 5.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.349 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -153.46 169.94 21.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.473 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -80.51 63.34 4.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.925 0.393 . . . . 0.0 110.97 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 p -161.95 -87.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.737 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -62.03 -41.51 98.17 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -16.43 61.98 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -106.23 0.37 25.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.017 0.437 . . . . 0.0 110.781 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t -77.59 -13.88 59.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.592 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -17.11 45.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.281 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.9 -41.65 2.21 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 121.313 -0.47 . . . . 0.0 113.335 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.1 mmm -53.05 -25.77 13.72 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.31 93.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.702 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -65.55 -47.88 74.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.748 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 m -60.44 -36.62 78.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.582 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.55 -44.09 95.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.84 -41.8 91.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.989 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.82 -46.87 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -66.55 -27.83 68.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.266 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -60.97 -39.86 91.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -94.3 -34.97 12.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.65 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -116.75 100.85 53.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 111.384 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -69.37 -27.14 28.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 111.639 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -86.82 3.26 45.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.5 -65.05 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -170.99 171.42 5.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.317 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.12 118.33 26.44 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -76.41 -35.71 58.44 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.39 -19.67 62.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.926 0.393 . . . . 0.0 111.576 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -90.38 0.72 57.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.534 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.7 mt -87.55 156.05 19.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -128.21 136.19 28.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.255 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -64.35 -24.1 64.92 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.82 2.347 . . . . 0.0 111.198 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.04 -15.1 61.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.625 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -105.71 46.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.423 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -59.73 -36.93 77.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -61.17 -47.98 83.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.132 0.491 . . . . 0.0 110.463 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -71.67 -30.6 65.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.151 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.48 -52.69 63.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.33 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -59.48 -45.26 92.17 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 m -58.53 -49.36 77.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.787 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.6 -46.05 91.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.446 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.91 75.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.391 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -64.97 -47.58 77.09 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.7 p -59.89 -44.89 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 111.384 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.7 m -65.42 -40.99 94.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.782 0.325 . . . . 0.0 111.041 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.19 97.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.173 0.511 . . . . 0.0 110.208 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.66 -32.89 70.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.928 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -80.31 -39.29 28.99 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.5 mt -96.26 -30.55 13.39 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -177.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.21 -2.74 10.09 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 56.12 42.06 28.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.989 0.423 . . . . 0.0 111.839 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 60.1 m -67.31 139.71 57.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.455 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.39 148.2 48.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.818 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -79.89 88.08 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.622 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.2 mt -98.54 -10.5 23.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.327 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.0 mt -139.52 145.06 38.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.32 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -100.4 141.47 33.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.151 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.12 -55.96 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.025 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.14 -35.23 79.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.345 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.23 -42.6 93.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.901 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 31.1 mtp -63.41 -37.51 87.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.8 t -70.01 -38.75 76.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.05 0.453 . . . . 0.0 110.112 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -67.26 -52.86 35.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.46 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.84 -30.94 71.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.272 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.07 -64.7 0.38 Allowed 'General case' 0 N--CA 1.465 0.299 0 O-C-N 124.009 0.818 . . . . 0.0 110.57 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.0 t -95.34 115.34 65.36 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.28 161.08 46.91 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.424 2.083 . . . . 0.0 112.431 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.44 139.27 31.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.112 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -58.24 -39.8 80.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.976 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -64.18 -46.77 82.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.721 0.296 . . . . 0.0 111.582 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 43.5 m -59.2 -41.49 88.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.397 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.77 -42.9 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.099 0.476 . . . . 0.0 110.149 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -58.58 -53.21 60.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.849 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.1 t -65.02 -23.86 67.33 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -72.69 -50.57 23.99 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.962 0.411 . . . . 0.0 110.028 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 24.1 mm -72.63 -27.74 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.39 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -52.69 -62.51 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.492 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.12 -22.74 59.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.506 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.41 -38.47 91.28 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -61.49 -30.97 70.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.293 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -68.72 -21.21 64.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.486 0.66 . . . . 0.0 110.063 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 m -94.4 -0.74 54.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.312 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 43.1 mt -107.49 -40.93 5.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.021 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.56 -43.29 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.419 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -59.9 -31.26 69.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.198 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -80.71 -7.67 59.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.95 0.405 . . . . 0.0 110.892 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.56 22.47 77.89 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.618 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.04 -37.38 81.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.017 0.437 . . . . 0.0 110.363 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.0 t -64.3 -41.14 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.755 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -89.66 66.77 7.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.832 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.36 -15.93 59.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.118 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -99.12 163.73 12.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.856 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -68.58 106.25 2.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.023 0.44 . . . . 0.0 110.668 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 27.2 tptp . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.155 -179.866 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.915 0.388 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 44.0 mp0 -54.06 -47.22 71.9 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.013 0.525 . . . . 0.0 112.193 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -61.67 -41.16 97.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.805 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.33 -45.87 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.399 . . . . 0.0 109.983 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -63.87 -40.74 97.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.825 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -38.34 87.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.68 90.61 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.503 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -67.49 -33.15 74.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.18 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -69.35 -22.79 63.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.187 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 60.4 t -66.56 -35.4 74.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.26 0.552 . . . . 0.0 109.761 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -79.41 -13.9 59.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -83.56 139.0 33.13 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -113.0 19.8 16.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.933 0.397 . . . . 0.0 111.167 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -148.32 -44.68 0.15 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.315 0.579 . . . . 0.0 110.959 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.3 57.81 0.63 Allowed Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -120.52 -27.47 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.786 0.327 . . . . 0.0 111.008 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.0 24.69 43.71 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.197 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -122.54 121.26 36.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.645 0.26 . . . . 0.0 110.646 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 19.1 pt -137.56 -174.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.602 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 57.5 p -112.69 179.6 3.93 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.584 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.53 -25.08 67.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.49 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.66 -50.75 68.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -71.07 -42.35 69.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.287 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 29.4 tp -54.26 -51.11 65.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.046 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -62.61 -28.17 69.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -80.45 -37.38 32.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.565 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.28 -43.82 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 110.255 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 51.3 mtt -56.9 -41.44 78.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.38 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.61 -34.55 58.37 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.417 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -67.19 -23.96 65.81 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.847 0.356 . . . . 0.0 111.245 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 82.2 mt -77.58 -9.0 58.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.127 0.489 . . . . 0.0 110.37 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.87 22.0 64.74 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.468 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -76.99 133.32 39.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 110.598 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -88.96 58.15 4.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.062 0.458 . . . . 0.0 110.727 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 12.2 tp -101.56 121.78 42.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.664 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.87 151.37 34.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.157 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.84 -35.72 64.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.915 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -61.23 -44.49 97.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.099 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -61.22 -43.44 98.87 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.19 0.519 . . . . 0.0 110.347 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 47.4 t -63.67 -44.78 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.037 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.57 -36.63 84.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.016 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -64.41 -39.25 93.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 59.7 mtt -64.77 -34.49 78.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.041 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.11 -28.49 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 121.268 0.556 . . . . 0.0 109.967 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -80.36 -32.64 37.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.641 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.85 -35.95 79.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.584 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.27 173.43 6.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.554 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -99.71 81.72 2.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.4 0.619 . . . . 0.0 110.471 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 57.4 mt -105.83 -79.68 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.059 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.2 129.48 40.02 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.96 0.41 . . . . 0.0 111.098 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.1 -5.6 78.6 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.572 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.6 -89.9 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.27 -0.172 . . . . 0.0 111.208 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -177.54 -114.92 0.42 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.11 -1.043 . . . . 0.0 113.943 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -79.95 157.29 26.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 111.991 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 6.5 t -125.35 129.48 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.542 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -93.69 119.53 32.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.099 0.476 . . . . 0.0 110.357 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -60.34 -24.3 64.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -57.57 -38.52 74.95 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -62.86 -38.53 91.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.943 0.402 . . . . 0.0 111.052 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -75.42 -36.94 60.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.957 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.25 -48.53 88.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.977 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -64.46 -40.01 94.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 43.2 ttm -65.92 -41.82 90.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.05 0.452 . . . . 0.0 110.789 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 66.6 mtm -65.89 -29.34 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.908 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 2.9 p -89.48 -3.43 58.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.145 0.498 . . . . 0.0 111.308 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -108.97 10.85 26.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.219 0.533 . . . . 0.0 110.409 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.169 179.694 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -76.34 100.99 1.45 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.718 2.279 . . . . 0.0 111.805 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.4 mt -84.81 -37.29 20.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.484 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.37 153.06 17.64 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.494 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -65.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.807 0.337 . . . . 0.0 111.457 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -65.99 -9.53 31.07 Favored 'General case' 0 C--O 1.227 -0.086 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -60.15 -35.72 75.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 0.0 110.207 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.3 ttt -68.28 -45.91 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.248 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.4 mt -68.82 -34.96 76.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.962 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.34 -49.02 77.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.917 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.9 -42.21 98.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.891 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -58.73 -56.17 25.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.803 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.4 p -65.74 -34.63 78.63 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.7 -43.37 93.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.121 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.33 -35.7 68.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.953 0.406 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 54.0 tpp -67.02 -50.75 61.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.011 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.34 8.86 19.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.544 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -68.42 -24.36 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.088 0.47 . . . . 0.0 110.532 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -91.0 7.56 39.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.364 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -110.79 122.42 47.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.394 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.79 154.49 25.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.357 -179.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.3 t60 71.28 6.97 5.97 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.245 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.0 t -126.46 118.36 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.096 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -134.0 114.6 13.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.371 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.2 mt -93.47 93.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.145 0.497 . . . . 0.0 110.929 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -87.87 -36.46 17.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.392 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -164.23 160.61 21.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.752 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -80.55 64.28 5.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.949 0.404 . . . . 0.0 111.983 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 p -158.06 -80.2 0.07 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.4 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -41.15 92.87 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 m -67.09 -14.66 63.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.889 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -108.68 5.12 24.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.775 0.321 . . . . 0.0 111.325 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -31.9 63.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.897 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -32.07 57.94 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.911 179.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.95 -20.31 33.32 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.563 -0.744 . . . . 0.0 113.091 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.8 mtp -60.82 -30.32 70.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.732 0.301 . . . . 0.0 111.7 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.95 74.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.38 -51.12 64.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.949 0.404 . . . . 0.0 110.369 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.22 -37.81 86.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.573 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.07 -45.59 92.84 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.037 0.446 . . . . 0.0 110.736 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.5 tp -66.75 -44.75 80.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.5 mm -63.27 -42.81 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.967 0.413 . . . . 0.0 111.02 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -67.58 -23.49 65.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.478 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -63.34 -38.71 92.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.998 0.428 . . . . 0.0 110.068 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -94.31 -36.25 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.343 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -111.55 97.69 37.63 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 120.843 0.354 . . . . 0.0 110.809 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -70.45 -33.99 13.05 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.897 2.398 . . . . 0.0 112.05 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -86.29 12.55 9.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.006 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.37 -61.93 1.74 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.817 0.341 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -167.45 156.94 10.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.251 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -87.41 123.84 32.78 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -67.44 -23.82 65.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.755 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.18 -13.39 59.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.883 0.373 . . . . 0.0 110.99 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -98.91 9.31 43.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.472 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.0 mt -111.29 121.54 45.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.152 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.14 148.01 37.45 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.259 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.28 -20.25 70.15 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.939 2.426 . . . . 0.0 112.203 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.33 -12.43 60.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -109.95 40.93 1.81 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.155 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -56.5 -32.18 64.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.057 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -66.07 -52.64 47.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -71.84 -22.01 61.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.062 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -64.15 -49.94 70.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.168 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -64.23 -43.82 93.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.607 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -48.17 82.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.675 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.6 tp -58.53 -46.48 86.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.347 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.13 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.959 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -60.23 -44.89 94.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.8 t -60.85 -36.63 79.62 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.8 m -79.48 -36.85 38.05 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 120.94 0.4 . . . . 0.0 110.734 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.457 ' C ' ' H ' ' A' ' 73' ' ' LYS . . . -63.69 -50.45 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -78.97 25.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.326 0.584 . . . . 0.0 110.746 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 71' ' ' ALA . 19.6 tttp -127.05 -53.28 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.577 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.3 mt -87.61 -20.23 26.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.869 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.42 -36.26 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 69.98 75.42 0.22 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.535 0.522 . . . . 0.0 110.799 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.3 m -95.52 -168.51 1.79 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.798 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.66 125.0 48.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.469 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.92 73.58 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.664 0.745 . . . . 0.0 111.641 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 mt -85.3 -4.22 59.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.469 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.9 mt -140.1 135.15 32.26 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.469 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -95.83 144.35 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.1 t -61.08 -49.58 84.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.077 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.03 -42.47 97.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.541 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -59.58 -51.31 70.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.023 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 74.6 mtp -60.83 -40.84 94.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.035 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.65 -39.84 69.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.906 0.384 . . . . 0.0 110.506 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -65.51 -48.58 72.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.85 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.4 mt -79.01 -23.69 44.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.675 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.06 -54.63 0.69 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.409 0.683 . . . . 0.0 112.091 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.09 112.98 64.03 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -77.22 -176.96 3.48 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.512 2.142 . . . . 0.0 111.741 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -104.26 127.42 51.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.688 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.4 t -56.58 -29.14 61.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.544 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -64.41 -35.81 82.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.0 m -77.78 -38.99 45.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.95 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.55 -41.52 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.355 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -55.93 -43.53 77.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.055 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -44.17 96.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.67 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -63.37 -41.95 98.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.575 0.226 . . . . 0.0 111.345 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.4 mm -64.77 -38.14 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.033 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -43.0 97.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.521 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -64.93 -44.78 88.37 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.09 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 47.5 tp -62.81 -43.88 97.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.693 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -56.46 -41.27 76.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.006 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -58.42 -45.56 88.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.032 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.0 m -65.55 -30.8 71.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.23 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.8 mt -71.1 -37.65 72.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.981 0.42 . . . . 0.0 110.811 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.62 -51.6 49.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.401 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -36.45 81.13 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -71.49 -32.43 68.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.993 0.425 . . . . 0.0 110.221 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.79 16.18 43.03 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.446 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 74.8 mt -68.06 -27.46 66.53 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.117 0.484 . . . . 0.0 111.093 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 15.4 t -68.28 -30.05 46.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.682 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -98.1 50.92 1.02 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.3 t -94.39 -29.99 14.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.302 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -156.48 137.93 13.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.3 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -141.63 169.49 17.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.201 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.798 -0.62 . . . . 0.0 110.259 -179.85 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.251 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -62.42 -27.38 69.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.876 0.37 . . . . 0.0 111.364 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' B' ' 84' ' ' GLU . 25.2 mp0 -65.95 -42.29 90.15 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 28.7 mt -67.4 -40.76 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.41 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -63.23 -39.95 96.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.973 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.54 -44.56 90.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.703 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.51 -42.48 87.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.021 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -67.77 -35.68 79.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.092 0.472 . . . . 0.0 110.553 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -22.08 66.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.438 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 83.4 t -65.3 -33.84 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.41 0.624 . . . . 0.0 109.497 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -85.58 -39.07 17.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.34 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -80.3 84.99 5.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -90.31 28.29 1.48 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.161 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.78 -37.21 2.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.93 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.59 42.96 5.31 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.909 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.16 -12.78 11.18 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.706 -0.291 . . . . 0.0 111.527 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.44 -1.47 85.95 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.211 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -105.11 124.85 50.23 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 28.9 pt -135.77 173.1 14.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.519 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -81.27 151.45 28.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.84 94.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.393 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.38 89.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.547 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -69.14 -40.16 78.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.23 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 4.3 tp -56.43 -47.03 79.91 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.868 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -62.46 -34.31 76.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.042 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -67.05 -35.12 79.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.877 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.81 -46.59 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.433 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 49.3 mtt -57.33 -44.12 83.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.951 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.51 -36.65 68.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.238 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -64.99 -40.6 95.21 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.18 -29.47 67.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.295 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.14 22.61 12.72 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.254 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -62.39 139.43 58.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.664 0.269 . . . . 0.0 110.451 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -79.0 -2.77 41.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.679 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.66 124.4 20.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.17 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 7.4 p -79.34 161.38 26.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.196 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.37 -38.76 66.49 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -62.2 -44.05 97.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.86 0.362 . . . . 0.0 110.534 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.99 -40.5 91.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.241 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 62.5 t -66.05 -46.51 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.058 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -59.58 -39.72 85.02 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.267 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -62.68 -33.86 75.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.863 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 55.6 mtt -70.18 -35.99 74.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.106 0.479 . . . . 0.0 110.004 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 80.1 mt -64.86 -33.67 65.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 29.9 mtt180 -76.48 -11.75 59.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.967 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -89.62 -30.15 18.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.585 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -100.42 160.15 14.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.242 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -82.51 88.52 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.388 0.614 . . . . 0.0 110.781 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 10.9 mt -121.67 -62.84 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.222 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.17 121.94 15.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.483 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 96.41 -7.41 66.19 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.721 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.87 -79.65 0.59 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.687 0.28 . . . . 0.0 111.157 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 161.44 -135.58 4.01 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.514 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -66.63 151.21 47.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.872 0.367 . . . . 0.0 111.163 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 7.1 m -126.92 159.21 37.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.72 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -88.28 126.26 35.08 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.059 0.456 . . . . 0.0 110.379 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -69.37 -15.88 63.4 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -58.91 -40.81 85.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.375 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -63.58 -41.42 98.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.13 0.49 . . . . 0.0 110.623 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -67.09 -38.45 85.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.099 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.41 -48.0 90.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -55.79 -48.43 75.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 53.0 ttp -63.05 -39.73 95.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.689 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 60.4 mtm -63.5 -41.39 98.54 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.2 p -77.79 -33.56 52.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.744 0.306 . . . . 0.0 111.509 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.51 -50.33 52.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.776 -179.696 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.739 -0.544 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.64 -74.6 0.02 OUTLIER 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.923 2.415 . . . . 0.0 111.934 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.9 mt -79.2 -55.03 5.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.991 0.424 . . . . 0.0 110.534 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.8 120.04 3.07 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 p -55.12 -60.14 3.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.914 0.388 . . . . 0.0 112.017 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -59.84 -37.2 78.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.453 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -66.72 -48.99 67.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 ttp -61.11 -42.49 98.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.74 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.3 mt -63.42 -41.24 98.71 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.99 -45.9 90.23 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.168 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.43 -45.48 90.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.309 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -59.47 -48.0 83.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.275 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.4 m -61.06 -54.48 44.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.944 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -56.24 -38.75 71.52 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.138 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.45 -34.45 68.99 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 ptp -109.06 10.36 26.12 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m -120.76 -14.07 8.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.229 0.537 . . . . 0.0 110.544 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.6 ptm85 -65.88 -18.05 65.07 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.17 0.51 . . . . 0.0 110.983 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -78.71 -16.17 57.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.297 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -89.4 111.47 22.34 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.03 145.88 44.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.823 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 79.45 -15.62 0.74 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.437 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -103.52 104.7 17.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.29 0.567 . . . . 0.0 111.981 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -120.44 103.39 9.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.698 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.5 mt -83.38 100.05 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.054 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -110.68 -10.98 14.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.997 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -149.66 -178.75 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.009 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -113.33 36.03 3.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.955 0.407 . . . . 0.0 110.192 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 p -149.7 -76.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.733 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.28 -40.64 71.27 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -8.63 55.62 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -110.33 4.53 20.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.635 0.255 . . . . 0.0 111.071 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.7 m -67.2 -26.52 66.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.06 0.457 . . . . 0.0 111.425 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.4 p -83.47 -25.81 30.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.102 0.477 . . . . 0.0 110.143 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.36 -4.33 68.37 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.816 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.6 mmm -68.05 -24.04 65.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.378 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.05 -31.46 62.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -67.05 -52.56 40.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 p -66.77 -31.53 72.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.48 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.2 87.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.466 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 tp -63.36 -43.01 98.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.2 mm -64.71 -42.2 94.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.92 0.391 . . . . 0.0 110.322 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -64.1 -32.31 73.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.78 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -68.36 -34.75 76.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.283 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -79.91 -48.15 13.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -123.59 105.42 33.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.008 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.52 -14.07 18.1 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.613 2.209 . . . . 0.0 112.34 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -94.19 13.12 24.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.427 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.63 -72.49 0.44 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.131 0.491 . . . . 0.0 110.521 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -151.51 156.93 41.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.65 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -83.59 128.83 34.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.988 0.423 . . . . 0.0 110.726 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -81.64 -22.82 37.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.652 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.08 -23.2 63.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 0.0 111.137 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.18 7.61 43.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.215 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.77 98.18 10.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.318 0.58 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -86.0 133.98 40.01 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.481 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -58.21 -21.88 54.11 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.404 2.736 . . . . 0.0 114.091 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.19 -10.85 59.67 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.95 -0.469 . . . . 0.0 110.772 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -98.61 28.58 4.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.26 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -47.29 -46.07 24.64 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -58.86 -49.17 78.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -38.56 82.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.197 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -60.08 -52.29 65.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.3 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -56.96 -44.08 82.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.429 . . . . 0.0 110.516 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.5 m -63.0 -50.94 68.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.63 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.87 -42.21 84.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.688 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.2 -49.9 75.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.741 0.305 . . . . 0.0 111.439 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -70.52 -48.06 57.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.619 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.1 m -54.82 -42.78 72.28 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.9 m -61.17 -41.87 97.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.96 0.41 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.4 92.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.544 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -67.75 -50.16 58.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.972 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -63.04 -22.42 66.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.4 mt -101.35 -48.91 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.93 5.46 4.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.7 t70 52.39 74.69 0.26 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.505 0.669 . . . . 0.0 111.492 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.86 155.01 28.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.84 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.8 123.2 19.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.29 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -77.8 67.44 3.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.24 0.543 . . . . 0.0 110.759 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.9 mt -84.77 -2.35 57.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.642 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.6 mt -135.55 141.72 45.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.253 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -104.2 133.47 49.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.498 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.68 -60.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.733 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.61 -40.45 79.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.211 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -61.29 -48.82 79.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.312 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 68.0 mtp -62.91 -40.95 99.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.937 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.84 -41.65 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.741 0.305 . . . . 0.0 110.586 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -67.93 -42.07 81.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.703 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.32 -37.63 63.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 74.53 -41.08 0.46 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.66 0.784 . . . . 0.0 111.897 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.1 t -103.56 104.74 43.64 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.08 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -72.08 152.33 56.61 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.86 2.374 . . . . 0.0 110.93 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.24 137.45 37.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.949 0.404 . . . . 0.0 111.317 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 t -57.99 -36.92 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.208 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -77.63 -45.44 25.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.676 0.274 . . . . 0.0 111.596 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.5 m -57.59 -44.86 85.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.536 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.96 -44.35 92.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.77 0.319 . . . . 0.0 110.225 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -57.13 -44.16 83.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.151 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.6 m -61.1 -41.6 96.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.53 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -65.17 -47.25 77.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.523 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 51.5 mm -65.34 -38.09 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.739 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -53.7 -57.86 9.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.79 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -69.43 -28.45 66.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 57.4 tp -67.26 -30.89 70.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.216 0.531 . . . . 0.0 109.697 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -67.92 -34.12 76.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.8 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -29.44 70.39 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.955 0.407 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.1 m -62.9 -28.99 70.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.204 0.526 . . . . 0.0 110.254 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.5 mt -82.05 -39.19 23.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.497 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.76 -43.11 90.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -60.08 -37.17 79.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.546 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -83.4 -7.57 59.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.946 0.403 . . . . 0.0 110.743 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.97 26.92 69.81 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.224 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 81.4 mt -75.18 -19.48 59.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.168 0.508 . . . . 0.0 111.194 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.0 t -75.2 -12.26 14.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.512 0.672 . . . . 0.0 110.142 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -91.82 24.96 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.789 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.4 t -74.55 8.46 2.3 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.881 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -80.12 -18.71 49.12 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -74.03 122.21 22.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.188 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.726 -0.654 . . . . 0.0 110.48 -179.812 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 121.153 0.501 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -56.81 -33.45 66.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.874 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.61 -35.35 79.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.094 0.473 . . . . 0.0 110.453 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.22 -41.42 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.525 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -62.6 -44.93 95.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.975 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -64.18 -31.21 72.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.344 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.34 -37.11 86.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.994 0.426 . . . . 0.0 109.965 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -67.64 -32.64 73.47 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.411 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -69.84 -21.09 63.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.539 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -73.75 -30.61 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.536 0.684 . . . . 0.0 109.189 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -81.98 -38.85 24.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.369 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -66.44 134.94 53.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -85.76 -11.99 52.17 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -125.96 -35.09 2.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.092 0.472 . . . . 0.0 111.297 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.66 56.37 1.17 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -106.36 -26.56 11.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.1 -0.98 47.45 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.598 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -111.45 117.68 33.71 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 14.7 pt -127.59 179.15 3.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.048 0.451 . . . . 0.0 111.487 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 74.9 p -86.06 169.15 13.43 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.064 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.3 -30.65 66.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.97 -51.3 48.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.97 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -59.52 -46.38 89.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.134 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 10.0 tp -55.07 -53.89 50.06 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.652 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -59.69 -37.41 78.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.787 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -64.18 -34.13 77.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.552 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 47.2 t -68.32 -43.97 84.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 85.6 mtp -58.62 -44.55 89.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.942 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.91 -31.86 64.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 111.173 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -72.14 -24.66 61.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.616 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -75.09 -15.71 60.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.91 25.33 38.24 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.206 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -74.36 118.34 17.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.65 0.262 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -77.67 48.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.837 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 tp -94.49 144.09 25.86 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 63.1 p -74.41 149.88 40.26 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.03 -25.25 67.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.371 0.605 . . . . 0.0 110.061 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -64.87 -46.34 82.24 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.776 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -64.8 -33.63 76.44 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 121.09 0.472 . . . . 0.0 110.321 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.98 -42.16 94.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.18 -41.25 92.48 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.095 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.28 -43.75 98.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.255 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.74 -39.74 95.05 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.681 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.32 -35.08 67.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.041 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -77.25 -16.46 59.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.669 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -78.77 -46.17 19.43 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.53 165.87 23.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.071 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -104.72 78.53 1.45 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.064 0.459 . . . . 0.0 110.269 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 4.5 mt -105.96 -64.08 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.58 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.66 124.35 20.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.183 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.79 8.21 76.83 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.045 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -135.31 -68.94 0.51 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 164.1 -154.07 24.75 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.157 -1.021 . . . . 0.0 112.896 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -70.48 154.13 42.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.779 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 2.7 m -120.75 167.32 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -99.4 141.52 32.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.72 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -69.66 -21.32 63.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.669 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -51.96 -43.14 63.41 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.42 -47.33 50.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.427 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -60.77 -37.52 82.15 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.98 -48.8 86.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -68.36 -26.4 65.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.875 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 66.2 mtp -69.38 -37.54 77.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.071 0.462 . . . . 0.0 110.282 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 16.0 ptp -84.94 -24.06 28.53 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 19.0 p -79.59 -22.67 43.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.699 0.285 . . . . 0.0 111.305 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -91.15 13.46 16.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.061 0.457 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 mttm . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.764 179.76 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -62.5 -38.92 48.68 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 111.717 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.8 mt -96.14 95.23 8.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.02 58.13 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 119.36 -1.4 . . . . 0.0 114.444 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -47.66 85.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.091 0.472 . . . . 0.0 110.28 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -69.79 -31.56 69.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.748 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -64.86 -35.41 81.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.2 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.6 tpt -63.36 -46.52 86.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.559 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.5 mt -68.63 -34.09 75.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.925 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.2 -45.29 93.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.485 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.19 -40.27 86.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.118 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -60.92 -46.49 90.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.621 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 t -67.67 -46.67 71.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.093 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -67.42 -8.78 35.84 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.67 -19.26 22.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.1 mtm -105.06 -54.5 2.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.431 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.35 -3.52 14.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.019 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.1 ttm-85 -70.72 -24.4 62.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 110.093 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.29 -8.11 58.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.255 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -92.45 134.92 34.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.934 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -83.34 150.91 25.82 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.594 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 68.7 20.58 8.14 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.952 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -128.28 95.19 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 111.526 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -103.31 109.81 21.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.117 0.484 . . . . 0.0 110.168 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.4 mt -87.16 84.92 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.11 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -80.17 -57.68 3.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.635 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -135.06 -166.88 1.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.717 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -99.66 16.56 23.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.655 0.264 . . . . 0.0 111.575 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.6 m -133.72 -70.77 0.52 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.17 -44.59 71.63 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -18.58 64.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -100.24 1.33 41.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.932 0.396 . . . . 0.0 111.238 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 t -72.33 -21.69 61.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 p -79.14 -21.67 46.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.342 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.4 -29.22 4.04 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.455 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.1 mmt -56.54 -33.52 66.16 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.53 75.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.769 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -69.98 -47.23 63.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.918 0.389 . . . . 0.0 110.428 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.0 m -59.88 -44.76 94.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.434 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.51 96.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.5 tp -63.3 -50.58 69.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.932 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.9 mm -63.02 -38.21 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.035 0.445 . . . . 0.0 110.404 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.27 -25.63 67.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.185 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -71.16 -33.44 70.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.003 0.43 . . . . 0.0 110.165 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -84.24 -44.21 14.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.35 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -122.04 105.11 37.7 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.21 -11.64 29.07 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.756 2.304 . . . . 0.0 112.17 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -103.4 10.33 37.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.55 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.17 3.49 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.928 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -167.17 154.59 8.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.88 93.82 2.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.235 0.541 . . . . 0.0 110.568 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -62.63 -35.35 79.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.558 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.47 -11.23 59.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.853 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -106.93 7.33 29.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.107 0.48 . . . . 0.0 111.035 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -87.51 153.06 21.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -129.93 142.79 46.6 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.435 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -63.2 -21.16 72.17 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.872 2.381 . . . . 0.0 111.447 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.52 -13.15 60.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.471 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -107.37 38.67 2.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.175 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -52.89 -39.78 62.97 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -63.58 -45.22 91.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.932 0.396 . . . . 0.0 110.457 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -70.82 -31.19 67.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.39 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.89 -54.61 44.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.035 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -61.97 -46.27 89.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.651 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.7 m -58.03 -49.67 76.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.66 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.2 tp -61.99 -43.55 98.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.244 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.38 -51.65 64.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.518 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -63.88 -42.25 97.53 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.0 p -63.78 -44.78 92.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.663 0.268 . . . . 0.0 111.485 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.6 m -66.53 -42.67 86.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.361 . . . . 0.0 110.737 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.78 80.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -79.04 -32.96 45.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.373 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -75.69 -35.61 60.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 99.2 mt -97.33 -48.33 5.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.43 -10.07 20.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.61 61.45 1.97 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.015 0.436 . . . . 0.0 110.526 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.5 m -83.1 153.3 24.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.109 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.45 136.46 46.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.667 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -77.72 64.23 2.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.054 0.454 . . . . 0.0 110.938 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.5 mt -82.94 -21.46 34.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.647 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.7 mt -118.37 139.67 51.01 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.897 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -114.17 131.39 56.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.422 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.1 t -54.75 -54.99 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.099 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.66 -39.45 70.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -75.15 -41.42 58.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 88.8 mtp -63.7 -40.43 96.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.698 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.39 -35.15 61.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.1 0.476 . . . . 0.0 110.149 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -68.12 -52.11 38.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.695 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.1 mt -70.34 -25.58 63.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.38 -58.74 0.58 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.582 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.7 t -97.61 112.6 61.79 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.884 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.49 144.3 32.07 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.841 2.361 . . . . 0.0 112.122 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -69.08 130.38 42.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.227 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -35.5 71.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -66.74 -42.96 85.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.964 0.411 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 43.8 m -63.02 -39.08 93.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.458 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.14 -43.12 95.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.367 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -58.87 -51.94 67.86 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.527 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.3 m -60.91 -36.65 79.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 111.279 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -62.46 -47.19 85.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.659 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 38.3 mm -75.11 -28.92 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.422 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -53.3 -61.4 2.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.62 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.42 -28.64 63.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.353 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.2 tp -63.98 -46.92 82.48 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -58.4 -44.98 89.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.315 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -33.53 72.7 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.189 0.519 . . . . 0.0 111.077 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.4 m -76.21 -28.96 57.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.467 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 39.6 mt -76.48 -32.14 58.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.27 -48.79 71.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.421 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -70.96 -5.3 29.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.608 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -100.69 -2.81 31.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.811 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.51 17.51 76.38 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.298 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.1 mt -83.85 -45.02 13.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.649 0.261 . . . . 0.0 111.077 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.6 t -66.52 -36.53 77.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.31 0.576 . . . . 0.0 109.701 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -90.74 54.38 2.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.382 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -26.7 67.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.475 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -93.3 137.34 32.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.525 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -59.07 123.03 15.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.923 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.3 tptp . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.802 179.619 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 121.108 0.48 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -57.84 -41.45 82.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.119 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -60.09 -40.78 90.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.622 0.248 . . . . 0.0 111.549 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 88.7 mt -66.38 -44.36 90.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -64.88 -35.28 80.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.339 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.98 -41.72 99.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.011 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.6 94.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.379 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -66.44 -34.8 78.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.484 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -65.31 -22.42 66.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.268 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 60.0 t -69.62 -38.03 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.423 . . . . 0.0 109.866 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -70.52 -30.52 67.31 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.157 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -72.97 125.39 27.49 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.03 16.41 7.11 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -151.66 -51.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.429 . . . . 0.0 111.66 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.15 58.9 0.26 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -113.27 -27.93 7.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.936 0.398 . . . . 0.0 110.245 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.33 18.71 52.26 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -113.89 123.23 49.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.373 . . . . 0.0 110.173 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.2 pt -138.47 159.34 31.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.325 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.4 178.48 5.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.785 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.56 71.22 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.53 0.566 . . . . 0.0 112.53 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.55 -54.45 35.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.802 0.334 . . . . 0.0 111.281 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.31 -48.23 76.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.648 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.34 -51.03 63.75 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.704 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -60.36 -36.38 77.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.991 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -69.3 -30.26 68.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.49 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 44.8 t -66.68 -42.64 89.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.963 0.411 . . . . 0.0 110.121 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 80.9 mtp -58.61 -48.57 80.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.276 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -28.47 63.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.331 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -70.34 -40.08 74.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.67 -26.11 67.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.201 0.524 . . . . 0.0 110.546 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.98 13.29 27.63 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.108 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -67.66 117.41 9.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.019 0.438 . . . . 0.0 110.026 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -80.54 65.57 5.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.678 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 tp -107.79 124.85 50.66 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.41 146.21 49.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.129 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.81 -35.86 64.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.42 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -60.66 -39.9 90.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.447 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -70.24 -43.31 70.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.445 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 46.6 t -60.24 -50.96 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.476 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.86 -37.76 85.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.183 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.52 -42.92 98.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.054 0.454 . . . . 0.0 110.279 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -43.44 92.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.632 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 98.8 mt -64.39 -30.09 49.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.272 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -68.61 -26.3 65.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.513 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.4 -30.46 57.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.61 157.26 19.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.886 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -104.49 95.52 5.98 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.558 0.694 . . . . 0.0 111.598 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 50.3 mt -117.18 -57.83 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -67.29 102.84 1.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 111.512 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 120.48 -3.96 12.19 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.402 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -126.68 -73.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 167.13 -163.08 36.84 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.175 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -64.01 156.31 28.43 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.852 0.358 . . . . 0.0 111.225 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 16.6 m -125.91 169.61 17.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.878 0.37 . . . . 0.0 111.257 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -101.33 140.34 35.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.286 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -65.79 -23.18 66.65 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.78 -34.78 75.01 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -58.93 -38.4 78.89 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.188 0.518 . . . . 0.0 110.441 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -71.14 -35.55 71.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.314 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.94 -42.13 93.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.879 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -61.05 -40.33 93.21 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.24 0.543 . . . . 0.0 110.141 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 3.0 ttm -68.05 -42.48 80.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 67.3 mtm -64.35 -30.4 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.874 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.1 p -85.09 -19.03 32.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.8 0.333 . . . . 0.0 111.436 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -90.5 -15.89 29.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.591 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.669 -0.681 . . . . 0.0 109.937 179.768 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.923 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.13 88.22 0.39 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.86 2.373 . . . . 0.0 111.391 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.95 80.16 9.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.528 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.94 79.28 0.04 OUTLIER Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.896 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -63.29 -23.96 67.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.371 0.605 . . . . 0.0 110.48 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.36 -32.5 72.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.686 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -69.49 -27.8 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.9 tpt -65.6 -50.86 63.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.601 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.91 -36.49 82.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.258 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.56 -46.78 88.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.536 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -66.15 -40.21 90.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.531 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -65.1 -47.89 75.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.8 -43.83 87.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.584 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -62.51 -35.16 78.51 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.017 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.34 -34.94 78.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.603 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.6 mmt -73.3 -39.83 65.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.381 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -77.9 -7.79 57.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -66.46 -25.66 66.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.842 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -87.7 11.56 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.172 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -119.94 157.79 28.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.091 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -111.58 153.22 26.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 67.84 7.18 5.56 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.579 0.549 . . . . 0.0 111.83 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.9 t -131.68 114.09 24.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.071 0.462 . . . . 0.0 111.141 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -138.08 106.22 5.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.455 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.4 mt -74.47 95.68 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.371 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -91.34 -44.62 9.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.039 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -124.51 144.62 50.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.404 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.98 34.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 0.0 111.907 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.9 m -153.38 -67.29 0.15 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.807 0.337 . . . . 0.0 110.836 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -38.69 92.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 m -73.95 -3.6 30.06 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -109.33 -0.29 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.615 0.245 . . . . 0.0 111.289 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -69.71 -10.95 60.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.896 0.379 . . . . 0.0 111.961 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 p -87.24 -24.25 24.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.072 0.463 . . . . 0.0 111.03 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.39 -30.85 3.0 Favored Glycine 0 C--O 1.229 -0.194 0 CA-C-N 116.098 -0.501 . . . . 0.0 113.249 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.9 mmm -57.68 -26.38 61.61 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.78 -39.31 80.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.768 0.318 . . . . 0.0 111.718 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -65.19 -48.2 74.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.014 0.435 . . . . 0.0 110.181 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -39.77 93.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.298 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.36 92.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.35 -44.29 88.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.233 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.7 mm -64.52 -43.95 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.066 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -64.58 -27.78 69.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.364 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -63.19 -39.89 95.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.124 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -95.66 -35.74 11.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -114.19 96.57 42.82 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.802 0.334 . . . . 0.0 111.45 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -72.8 -16.74 26.21 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.903 2.402 . . . . 0.0 111.292 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.67 -10.06 47.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.806 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.03 -67.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.01 0.433 . . . . 0.0 111.315 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -167.08 158.75 12.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.701 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -86.58 126.24 34.35 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.924 0.392 . . . . 0.0 110.209 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -71.87 -23.34 61.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.292 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.16 -25.03 51.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.801 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -82.95 -25.12 32.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.334 0.588 . . . . 0.0 110.45 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.7 141.25 53.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -131.2 138.2 32.34 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.772 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.49 -28.64 65.35 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.687 2.925 . . . . 0.0 114.647 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.33 -36.49 84.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.029 0.442 . . . . 0.0 111.004 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -86.92 32.99 0.66 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.776 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -30.52 18.69 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -62.32 -60.28 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.0 110.404 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -67.68 -30.03 69.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.387 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -60.02 -48.91 79.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.088 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.49 -41.2 93.8 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.927 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 m -63.51 -46.58 85.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.645 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.7 tp -61.75 -41.92 98.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.639 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.61 73.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.236 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -67.36 -45.4 76.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.2 p -61.16 -47.69 85.01 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 m -63.66 -39.12 93.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.674 0.274 . . . . 0.0 111.322 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.88 -31.34 72.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.418 0.628 . . . . 0.0 109.841 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -74.82 -37.67 62.24 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.269 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -74.6 -42.55 58.48 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.6 mt -93.34 7.3 44.98 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.28 -30.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 66.24 88.0 0.11 Allowed 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 10.5 m -106.57 -159.42 0.7 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.427 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -113.22 117.55 32.2 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -76.81 71.95 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.08 0.467 . . . . 0.0 111.188 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.5 mt -74.46 -42.54 58.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.295 0.569 . . . . 0.0 110.127 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.9 mt -98.43 156.63 16.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.87 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -122.86 146.75 47.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.295 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.6 t -56.62 -59.34 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.447 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -56.61 -49.16 75.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.421 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -56.62 -50.82 70.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.844 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.5 mtp -63.78 -37.55 87.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.963 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.24 -38.25 79.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.903 0.383 . . . . 0.0 110.674 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -72.09 -43.46 64.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.753 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.6 mt -78.91 -34.59 44.56 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.59 -53.17 0.7 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.471 0.708 . . . . 0.0 111.827 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.1 t -101.62 112.04 64.69 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.278 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.47 174.8 8.64 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.784 2.323 . . . . 0.0 111.71 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -85.35 149.3 25.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.796 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.2 m -63.28 -41.69 99.02 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -85.81 -23.06 27.34 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 91.2 m -63.85 -41.06 97.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.9 t -76.32 -37.34 31.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -55.03 -47.7 74.39 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.899 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.2 m -61.32 -47.82 84.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.355 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -55.95 -41.28 74.45 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.075 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.0 mm -65.92 -40.02 86.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.036 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -45.45 83.97 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.988 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.54 -38.77 91.29 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.274 0.559 . . . . 0.0 110.021 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.5 tp -68.5 -41.67 79.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.166 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -57.47 -45.23 85.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.371 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -56.09 -45.72 79.3 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.214 0.53 . . . . 0.0 110.463 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.6 m -61.34 -39.85 92.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 61.9 mt -68.15 -35.12 77.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.037 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 83.4 t -70.52 -48.12 61.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.478 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -67.63 -20.11 65.29 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -87.02 -12.66 46.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.313 0.577 . . . . 0.0 110.243 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.75 15.18 73.76 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.792 -0.64 . . . . 0.0 113.041 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 98.4 mt -75.94 -36.84 59.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.008 0.432 . . . . 0.0 110.933 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 48.3 t -74.31 -27.36 21.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.29 0.566 . . . . 0.0 109.99 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -87.26 45.07 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.419 0.628 . . . . 0.0 110.697 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -100.54 18.92 17.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.567 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -83.23 21.7 1.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.141 0.496 . . . . 0.0 111.226 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -106.73 158.24 17.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.548 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 50.1 tptt . . . . . 0 C--O 1.247 0.954 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.513 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 121.129 0.49 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -62.17 -30.5 71.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.439 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -55.14 -50.91 68.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.035 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 33.3 mt -64.52 -40.79 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.592 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -62.36 -44.6 96.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.614 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -68.25 -39.6 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.724 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.18 -47.12 84.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.289 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -69.49 -30.34 68.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -63.28 -30.09 71.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.504 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 19.2 t -68.14 -27.62 37.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.989 0.423 . . . . 0.0 110.776 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -72.29 -41.93 66.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -66.32 155.37 37.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.21 -2.79 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.82 -17.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.84 64.63 1.14 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -123.16 -34.77 3.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.41 12.59 53.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.927 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -95.43 107.92 20.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.431 0.158 . . . . 0.0 111.0 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 pp -119.51 142.32 35.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.589 0.233 . . . . 0.0 110.833 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.03 144.57 38.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.773 0.321 . . . . 0.0 111.132 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.1 82.01 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.69 -37.94 77.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.147 0.498 . . . . 0.0 110.692 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -80.44 -41.18 24.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.182 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 24.3 tp -54.5 -44.48 72.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.395 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -64.13 -29.38 70.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.03 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -85.65 -23.37 27.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.318 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 85.8 t -66.48 -48.55 80.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.744 0.307 . . . . 0.0 110.503 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 83.7 mtp -58.54 -42.23 87.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.317 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.64 -32.1 67.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.088 0.471 . . . . 0.0 110.85 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.14 -29.09 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.041 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.87 -9.42 58.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.432 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.5 27.29 18.04 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.175 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -83.54 164.5 19.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.703 0.287 . . . . 0.0 110.418 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -126.58 28.99 5.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.205 0.526 . . . . 0.0 111.314 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.63 132.01 44.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.377 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.18 152.43 40.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.706 0.288 . . . . 0.0 111.246 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -59.06 -40.79 86.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.156 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -60.85 -36.63 79.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.722 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -61.39 -40.51 94.62 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.932 0.396 . . . . 0.0 110.181 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 19.8 t -62.59 -44.05 99.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.347 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -40.14 96.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -60.08 -45.99 91.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.056 0.455 . . . . 0.0 109.908 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 63.3 mtt -66.26 -34.46 78.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.459 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 34.9 mt -65.5 -38.52 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.142 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -71.88 -22.76 61.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.437 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -88.87 -9.35 51.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.259 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -113.36 161.16 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.291 0.567 . . . . 0.0 112.244 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -85.68 89.68 7.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.266 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 40.3 mt -115.16 -65.84 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.259 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -66.46 131.78 46.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.78 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.25 -21.04 46.19 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.777 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -104.98 -65.23 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.153 0.502 . . . . 0.0 110.309 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 134.95 -66.02 0.57 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.973 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.53 155.9 19.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.837 0.351 . . . . 0.0 110.833 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 1.3 t -117.03 151.42 18.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -86.24 108.78 18.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.305 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -60.48 -27.73 67.79 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.63 -39.73 68.26 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.817 0.342 . . . . 0.0 111.751 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -63.78 -26.8 68.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.08 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -92.26 -42.24 9.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.422 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 93.8 t -59.8 -47.99 89.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.084 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -68.51 -32.66 72.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.252 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 40.7 ttm -68.73 -47.94 65.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.776 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 63.4 mtm -61.4 -36.54 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.769 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 3.6 p -82.01 1.8 33.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -110.53 3.51 19.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.382 0.61 . . . . 0.0 109.566 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.422 -179.78 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.67 21.03 0.81 Allowed 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.933 2.422 . . . . 0.0 112.176 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.5 mt -113.75 2.78 15.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.656 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.08 128.28 3.99 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.739 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 p -62.25 -41.53 98.52 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -63.62 -36.2 83.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.655 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -67.07 -35.73 80.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -60.69 -49.81 76.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.014 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.0 mt -66.04 -35.76 81.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.0 tp -65.17 -43.35 92.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.62 -42.58 99.09 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.665 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -61.63 -46.84 88.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.8 m -69.64 -39.55 77.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -54.98 -38.62 68.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.345 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.8 95.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.918 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.8 ptp -83.9 -18.34 37.73 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.8 m -64.82 -30.93 71.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.324 0.583 . . . . 0.0 110.036 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -67.91 -15.05 63.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.738 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -88.11 -1.52 58.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 110.559 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -117.46 151.61 36.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -110.61 148.28 32.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.75 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.6 t60 69.73 14.23 8.11 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.689 0.618 . . . . 0.0 111.259 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -130.07 115.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.778 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -128.88 93.77 3.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.003 0.43 . . . . 0.0 110.594 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 67.4 mt -84.48 100.36 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.079 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -105.02 -15.91 14.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.488 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -161.97 165.34 27.59 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -90.21 57.1 3.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.922 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 p -158.32 -84.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.48 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -57.54 -41.62 81.29 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.0 m -69.63 -8.08 44.44 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -110.29 -5.42 15.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.794 0.331 . . . . 0.0 111.358 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.6 m -67.15 -18.77 65.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.1 -16.04 58.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.032 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.1 -47.04 2.81 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.236 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.3 mmm -48.54 -33.18 9.16 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.19 -34.69 64.1 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -64.19 -52.8 57.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.978 0.418 . . . . 0.0 110.77 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.7 m -66.87 -31.79 72.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.766 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.54 97.85 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 110.376 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 tp -68.15 -42.43 80.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.779 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.8 mm -61.55 -46.0 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.004 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -68.03 -19.96 64.95 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -68.71 -34.65 76.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.37 . . . . 0.0 110.094 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -98.0 -35.29 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.476 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -114.39 100.41 52.87 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.849 0.357 . . . . 0.0 111.466 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.9 -39.15 3.47 Favored 'Trans proline' 0 CA--C 1.528 0.178 0 C-N-CA 123.039 2.493 . . . . 0.0 111.947 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -81.85 15.87 2.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.156 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.69 -58.67 2.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.853 0.358 . . . . 0.0 111.371 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -169.77 169.61 8.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.783 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -95.67 116.37 28.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -72.34 -27.34 62.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.119 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.71 -17.05 62.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.09 0.471 . . . . 0.0 110.447 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -95.81 10.89 35.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.806 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.0 mt -105.86 132.82 51.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.191 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -108.05 150.07 39.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.07 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.89 -17.58 56.02 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.543 2.162 . . . . 0.0 110.99 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.07 -8.46 59.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.019 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -105.19 38.39 1.96 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.038 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -56.79 -43.85 81.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.097 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -58.9 -48.54 81.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.011 0.434 . . . . 0.0 110.097 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -38.62 91.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.372 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -56.59 -48.67 76.9 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.799 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -61.81 -43.44 98.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.486 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -64.7 -46.74 81.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.004 0.43 . . . . 0.0 110.136 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.51 -49.32 78.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.56 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.39 -53.48 56.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.902 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -62.79 -52.11 64.48 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.0 m -59.3 -47.55 84.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.6 m -63.38 -40.6 97.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.748 0.308 . . . . 0.0 111.098 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.42 -39.06 88.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 110.581 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -71.39 -33.16 69.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.175 0.512 . . . . 0.0 110.898 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -75.92 -31.07 58.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.937 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.6 mt -99.35 -52.1 3.6 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.03 0.5 25.68 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 41.63 54.72 3.7 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 7.7 p -79.68 163.31 24.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.58 139.4 35.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.344 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -80.43 86.06 5.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.686 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.2 mt -79.55 -14.8 58.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.664 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.1 mt -132.62 159.5 39.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.652 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -115.38 153.67 30.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.644 0.259 . . . . 0.0 111.069 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.71 -57.36 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.547 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.8 -36.75 74.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.702 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.04 -53.18 57.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.042 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.0 mmt -61.3 -40.92 95.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.632 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.97 -38.69 83.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.824 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.3 ttp-105 -77.04 -52.07 9.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.041 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -42.95 86.45 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.83 -46.25 0.64 Allowed 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.74 104.29 30.29 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -74.12 147.97 38.89 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.811 2.341 . . . . 0.0 112.318 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -73.77 137.24 43.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.615 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.3 t -60.19 -30.59 69.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -72.63 -40.85 66.1 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.132 0.491 . . . . 0.0 110.916 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 55.8 m -65.51 -45.91 81.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.187 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.68 -41.63 82.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.493 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -56.45 -52.4 64.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.89 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.8 m -62.02 -35.78 79.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.441 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.26 -45.84 89.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.864 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.3 mm -73.98 -31.51 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.146 0.498 . . . . 0.0 109.999 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -55.93 -55.14 36.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.001 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.83 -38.99 73.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.398 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.32 -41.44 89.11 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.662 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -60.4 -40.32 90.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.245 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -61.01 -46.88 88.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 m -59.7 -33.35 71.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.081 0.467 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.2 mt -75.79 -25.34 56.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.685 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.2 t -74.48 -46.21 43.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.593 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.91 -30.35 71.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.974 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -82.98 -13.18 56.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.778 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 73.09 38.56 54.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.946 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 95.0 mt -99.22 -17.95 17.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.1 t -76.41 -40.09 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -84.94 62.05 7.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.001 0.429 . . . . 0.0 110.647 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -26.44 60.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.723 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -115.23 111.08 20.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.438 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -104.13 97.94 7.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.042 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.161 179.919 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.843 0.354 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.29 -30.99 61.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.856 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -59.26 -32.97 70.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.98 -42.56 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.067 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -65.33 -39.36 92.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.041 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.07 -32.86 74.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.812 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.48 96.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.984 0.421 . . . . 0.0 109.933 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -71.63 -33.34 68.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.804 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -60.47 -33.24 72.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.554 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 89.8 t -62.87 -37.5 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.041 0.448 . . . . 0.0 110.829 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -72.03 -37.37 69.76 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.568 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -67.42 137.07 55.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -113.31 7.6 17.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -132.43 -25.08 1.98 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.155 0.502 . . . . 0.0 111.002 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.24 43.05 5.71 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.771 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -102.92 -36.37 8.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.094 0.473 . . . . 0.0 110.914 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.82 13.63 49.47 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.153 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -117.41 123.69 47.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.0 pt -139.82 179.73 2.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.4 p -98.93 171.59 7.96 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.661 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.72 -23.9 66.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.42 -50.8 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.237 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -67.76 -39.15 84.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.702 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 44.0 tp -54.05 -52.56 60.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.427 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -68.09 -31.15 70.57 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -65.5 -34.94 79.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.02 -43.33 76.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 9.1 mtt -58.86 -45.8 89.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.491 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 2.0 p -74.31 -9.97 59.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.709 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -98.39 -12.29 21.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.14 0.495 . . . . 0.0 110.602 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.2 mt -92.9 4.69 53.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.23 32.26 79.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.103 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -72.46 142.52 48.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.589 0.233 . . . . 0.0 110.667 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -96.38 18.26 14.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.284 0.564 . . . . 0.0 110.326 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 10.3 tp -77.28 120.27 22.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.219 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 55.3 p -69.28 154.41 42.08 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.58 -34.99 65.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.557 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.0 -45.97 91.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.093 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -63.88 -39.33 93.94 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.032 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.42 -42.92 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.446 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -59.82 -40.37 88.18 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.904 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.79 -48.04 83.61 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.903 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 40.8 mtt -60.12 -43.49 95.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.862 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.39 -34.94 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.427 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 26.0 ttm-85 -70.48 -25.0 62.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.341 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -80.74 -9.19 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.072 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -118.64 153.84 33.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.093 0.473 . . . . 0.0 110.419 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.95 68.85 10.68 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.207 0.527 . . . . 0.0 111.114 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 45.7 mt -96.84 -60.29 2.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.841 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.28 110.67 3.62 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 113.63 -14.44 22.4 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.658 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -105.15 -57.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.78 0.324 . . . . 0.0 110.54 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 133.22 -106.86 0.65 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.654 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -89.24 140.04 29.88 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 15.5 m -130.63 165.13 31.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.837 0.351 . . . . 0.0 111.155 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -94.88 141.96 28.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.144 0.497 . . . . 0.0 111.005 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -68.17 -24.87 65.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.752 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -54.05 -43.39 70.18 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -60.62 -45.17 95.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.711 0.291 . . . . 0.0 111.032 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -39.99 92.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.075 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 77.8 t -62.2 -43.91 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.083 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -65.89 -33.28 75.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.261 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 82.7 mtp -70.89 -47.81 57.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 23.2 ptp -67.01 -24.78 66.06 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 16.5 p -87.36 -20.23 27.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.04 0.448 . . . . 0.0 110.721 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.49 -29.57 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.634 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.865 179.898 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -59.2 -51.27 6.87 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.006 2.47 . . . . 0.0 112.428 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.6 mt -84.28 71.6 10.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.807 0.337 . . . . 0.0 110.948 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.13 97.95 0.11 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.428 -0.891 . . . . 0.0 113.39 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -49.43 24.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.326 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -64.35 -29.41 70.48 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.554 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.43 -35.79 76.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.684 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.1 tpp -61.74 -53.1 60.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.7 mt -65.76 -36.5 83.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.818 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.46 -46.46 86.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.144 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -64.52 -44.86 89.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.3 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -59.23 -43.83 92.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.626 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -68.41 -49.66 58.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.693 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -58.26 -32.32 68.27 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.87 -17.96 64.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.4 mtm -117.47 -45.42 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -68.33 -11.84 60.15 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.4 ttm-85 -69.69 -13.89 62.53 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.438 0.637 . . . . 0.0 110.189 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -77.27 -11.84 59.88 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.464 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -92.57 127.83 38.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.458 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.1 mp0 -75.63 146.48 40.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.734 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 69.21 18.67 8.1 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.667 0.604 . . . . 0.0 110.86 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.3 t -123.07 117.47 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.654 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -116.0 149.27 39.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.6 mt -129.45 96.96 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.856 0.36 . . . . 0.0 111.233 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -97.99 -51.24 4.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.233 0.54 . . . . 0.0 109.653 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -157.02 167.57 30.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.952 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -77.57 48.24 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.636 0.255 . . . . 0.0 111.348 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 m -148.61 -81.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -60.89 -45.06 96.11 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.05 2.0 9.79 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -122.34 14.2 10.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.482 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.7 t -69.03 -31.89 71.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.479 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.3 p -79.28 -27.73 42.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.279 0.562 . . . . 0.0 110.604 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.12 -3.68 79.65 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.763 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.49 -30.53 71.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.421 . . . . 0.0 110.335 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.57 -33.25 72.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.251 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -63.21 -55.62 23.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.086 0.469 . . . . 0.0 110.032 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.9 m -63.45 -35.66 81.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.25 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.16 98.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.794 0.33 . . . . 0.0 110.683 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.4 tp -71.32 -46.74 59.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.4 mm -61.18 -39.11 81.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.008 0.432 . . . . 0.0 110.768 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -64.22 -24.34 67.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.265 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -73.96 -28.88 61.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.022 0.439 . . . . 0.0 110.433 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -90.72 -39.42 12.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.639 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -126.39 102.1 27.07 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.007 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.44 -29.29 25.61 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 122.848 2.365 . . . . 0.0 111.972 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -86.09 -0.81 56.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.376 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.55 -56.52 17.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.761 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -169.41 164.11 10.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.804 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.1 111.88 23.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.985 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -69.38 -37.9 77.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.1 -21.76 66.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.072 0.463 . . . . 0.0 111.202 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -93.36 -1.45 55.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.366 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.0 mt -79.81 136.41 36.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.012 0.434 . . . . 0.0 110.981 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.69 121.87 49.63 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.46 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.14 -21.56 66.4 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.705 2.27 . . . . 0.0 112.593 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.97 -7.2 55.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.159 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -115.93 49.84 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.812 0.339 . . . . 0.0 110.379 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -57.07 -33.53 67.36 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.14 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.7 mtm105 -59.51 -45.34 91.99 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.906 0.384 . . . . 0.0 110.272 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -74.37 -34.84 63.47 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -59.02 -53.95 52.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.86 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -59.24 -44.51 92.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.715 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.7 m -60.64 -45.46 94.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.6 tp -61.95 -41.63 98.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.535 -179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.65 -54.61 43.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.436 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -62.22 -51.32 68.25 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.3 p -56.48 -48.62 76.72 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.6 m -65.65 -40.03 92.03 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.574 0.226 . . . . 0.0 111.242 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.37 -43.52 98.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.168 0.509 . . . . 0.0 109.943 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -70.55 -41.42 72.5 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.648 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -67.44 -33.26 74.78 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.8 mt -100.99 -33.74 10.05 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.6 1.24 12.23 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 t70 55.39 45.0 26.27 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.089 0.471 . . . . 0.0 111.456 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 46.7 m -72.7 152.71 41.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.057 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.17 142.09 33.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.511 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -79.8 76.51 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.002 0.43 . . . . 0.0 110.27 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.6 mt -82.41 -14.9 54.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.328 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.6 mt -136.53 147.26 46.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.157 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -110.54 142.06 42.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.533 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.57 -56.31 18.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.82 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -60.06 -30.64 69.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.105 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -76.56 -48.95 17.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.754 0.311 . . . . 0.0 110.692 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 83.3 mtp -58.78 -48.04 82.61 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.0 t -60.9 -35.36 64.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.137 0.494 . . . . 0.0 110.329 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -69.4 -40.54 77.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 55.3 mt -73.39 -31.46 63.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.053 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.93 -50.38 0.69 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.405 0.682 . . . . 0.0 111.797 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.5 t -110.7 104.88 56.71 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.35 144.97 63.91 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.932 2.421 . . . . 0.0 112.484 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.0 136.35 48.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.29 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 m -60.72 -27.82 68.19 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -72.08 -48.35 44.76 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.696 0.284 . . . . 0.0 111.41 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.1 m -58.15 -45.39 87.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.75 -42.6 89.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.421 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -58.38 -50.91 71.96 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.718 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.0 m -59.38 -41.64 89.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -60.96 -49.65 76.57 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.279 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.52 -36.33 70.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.555 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.55 -52.47 65.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.21 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.89 -36.47 83.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.774 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.8 tp -66.12 -34.54 78.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.263 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -59.4 -33.31 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.265 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -67.96 -30.54 69.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.075 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 m -79.65 -8.07 58.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.394 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.4 mt -96.24 -39.49 9.64 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.667 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.05 -40.85 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 120.894 0.378 . . . . 0.0 111.036 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -64.6 -29.85 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.581 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -86.03 -7.86 58.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.117 0.484 . . . . 0.0 110.541 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.91 15.4 81.68 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.297 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.66 -35.02 76.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.887 0.375 . . . . 0.0 110.711 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 22.6 t -76.3 -18.62 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.682 0.753 . . . . 0.0 109.247 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -94.1 46.01 1.16 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.77 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.81 -23.01 67.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.219 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -104.86 137.74 42.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -54.97 128.36 33.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.294 0.569 . . . . 0.0 111.887 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.6 tptp . . . . . 0 C--O 1.246 0.88 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.313 -179.702 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.885 0.374 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 27.5 mp0 -58.66 -33.52 70.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.321 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -59.95 -32.11 70.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.44 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.93 -48.17 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -66.5 -39.51 88.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.066 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.03 -37.08 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.44 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.196 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -69.14 -31.42 70.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.761 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -63.99 -30.22 71.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.765 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 88.2 t -73.91 -30.43 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.414 0.626 . . . . 0.0 109.642 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -76.5 -45.11 32.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.586 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -81.2 105.45 12.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.113 0.482 . . . . 0.0 109.82 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -93.25 12.13 25.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.994 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -122.23 -42.44 2.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.077 0.465 . . . . 0.0 111.886 -179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.2 43.03 3.59 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.58 -26.56 13.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.308 -0.446 . . . . 0.0 110.46 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.03 10.99 68.23 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.358 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -110.05 134.06 52.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.561 0.219 . . . . 0.0 110.715 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.4 pt -141.11 148.55 21.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.04 148.41 48.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.964 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.66 81.62 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.34 93.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.704 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.52 -36.2 78.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.718 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 11.0 tp -58.4 -51.21 70.8 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.597 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -65.04 -28.33 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.331 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -65.93 -34.67 78.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.264 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 19.9 t -74.12 -43.16 51.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.731 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 91.1 mtp -57.11 -44.6 83.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 2.6 p -73.03 -33.72 65.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -64.62 -34.87 79.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.1 -27.36 68.87 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.371 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.71 20.81 38.95 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -70.53 131.61 44.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -86.89 75.09 9.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.168 0.509 . . . . 0.0 111.74 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -123.78 154.74 39.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.214 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 64.0 p -84.01 154.74 23.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.057 0.456 . . . . 0.0 111.402 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -64.28 -30.23 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.91 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -62.08 -42.16 98.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.772 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -62.28 -43.32 99.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.375 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 16.2 t -66.19 -39.36 84.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.32 -34.59 74.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.785 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -73.23 -35.31 66.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.418 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 44.4 mtt -64.89 -34.8 79.26 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.34 -25.04 36.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.832 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -92.11 -1.84 56.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.606 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.44 -42.19 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.801 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.88 167.08 11.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.372 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -86.98 85.08 7.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.137 0.494 . . . . 0.0 111.998 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 1.8 mp -87.35 -64.92 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.805 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -95.65 164.5 12.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.4 -8.22 65.44 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -117.56 -94.19 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.985 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 155.77 -26.71 0.58 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.361 -0.924 . . . . 0.0 112.857 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -143.79 136.58 27.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.845 0.355 . . . . 0.0 111.072 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 17.2 t -107.55 134.09 50.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.043 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -77.35 120.49 22.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.907 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -35.08 79.24 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -57.38 -41.33 79.99 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.29 -50.61 70.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.848 0.356 . . . . 0.0 111.429 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -64.69 -34.83 79.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.617 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.16 -45.59 98.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.31 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -66.3 -39.56 89.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.779 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 98.8 mtp -62.84 -47.56 82.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.22 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 19.4 ptp -69.09 -19.0 64.05 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.3 p -92.06 -7.18 49.44 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.859 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -116.55 23.5 11.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.087 0.47 . . . . 0.0 110.984 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.669 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.907 0 N-CA-C 112.212 -0.355 . . . . 0.0 112.212 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.15 -55.38 1.93 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.071 2.514 . . . . 0.0 112.267 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.5 mt -86.12 25.27 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.196 0.522 . . . . 0.0 111.073 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.12 31.16 1.32 Allowed Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -56.15 25.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.084 0.469 . . . . 0.0 110.999 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -68.34 -36.06 78.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.656 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -63.38 -41.62 98.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.208 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 tpt -62.42 -44.61 96.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.985 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.91 -39.8 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.866 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.27 -42.99 87.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.54 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -67.2 -37.07 83.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.0 110.518 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -60.92 -52.8 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.26 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 p -68.22 -30.94 70.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.892 0.377 . . . . 0.0 111.105 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -64.27 -35.63 81.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.992 0.425 . . . . 0.0 110.372 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 -27.27 58.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.642 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.1 mmt -82.12 -22.36 36.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.265 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 t -92.03 -2.07 56.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.195 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -67.33 -25.1 65.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.069 0.461 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -94.25 4.51 53.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.287 0.565 . . . . 0.0 110.386 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -118.21 101.54 8.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.57 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -70.25 158.26 36.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.412 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.7 t60 79.92 -47.39 0.34 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.738 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 t -72.71 97.03 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.975 0.416 . . . . 0.0 110.243 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -107.04 100.64 10.12 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.119 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 65.5 mt -78.4 106.97 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.995 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -100.51 -45.65 5.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.476 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -146.64 166.96 24.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.381 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -79.54 55.04 1.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.9 0.381 . . . . 0.0 111.123 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.2 t -162.38 -71.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.872 0.368 . . . . 0.0 111.299 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -48.31 74.12 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -76.68 -1.32 27.21 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -115.51 13.51 16.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.778 0.323 . . . . 0.0 110.245 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.1 p -66.45 -44.32 83.12 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.73 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -16.04 48.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.162 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.39 -2.78 75.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.858 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.9 mmm -56.54 -37.92 71.16 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.823 0.345 . . . . 0.0 111.153 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.88 -35.23 76.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.444 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -64.95 -53.27 48.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.3 m -59.5 -40.35 86.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.005 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.46 81.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.09 -46.24 89.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.265 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.8 mm -63.38 -44.4 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.968 0.413 . . . . 0.0 110.647 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -66.41 -25.98 67.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.606 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -26.18 65.76 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -109.17 -29.55 8.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.517 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -116.83 89.0 27.63 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.853 0.359 . . . . 0.0 110.272 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.88 -22.48 56.07 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.803 2.336 . . . . 0.0 112.188 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -97.03 10.67 38.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.975 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.71 -62.36 1.48 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.147 0.499 . . . . 0.0 110.515 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -162.96 167.4 22.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.41 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.09 110.76 22.45 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.776 0.322 . . . . 0.0 110.99 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -71.51 -31.56 67.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.071 0.463 . . . . 0.0 110.341 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.57 -20.61 64.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.165 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.17 -2.76 52.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.885 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.7 mt -83.08 165.91 19.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.854 0.359 . . . . 0.0 111.188 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -154.36 141.18 13.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -50.26 -23.77 10.47 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.554 2.836 . . . . 0.0 113.74 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.19 67.77 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.122 0.487 . . . . 0.0 110.769 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -94.84 28.51 2.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.233 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -51.29 -42.36 61.09 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.51 -28.47 67.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.11 -19.64 21.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.592 0.234 . . . . 0.0 111.569 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -58.39 -46.39 86.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -59.81 -46.03 90.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.901 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -50.47 73.04 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.9 tp -56.45 -47.61 78.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.258 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.71 -52.16 64.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.567 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -65.22 -57.23 9.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.1 m -55.21 -43.6 74.6 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.2 m -68.16 -39.04 82.7 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.593 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.53 95.12 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -67.4 -16.75 64.41 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.106 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -95.11 -41.46 9.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.855 0.36 . . . . 0.0 111.236 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.6 mt -80.87 -48.25 12.64 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -108.61 -23.64 11.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.0 t0 68.13 68.76 0.33 Allowed 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.838 0.711 . . . . 0.0 111.093 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.6 p -88.26 166.1 14.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.686 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.4 128.42 33.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.444 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -78.19 68.9 4.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.393 0.616 . . . . 0.0 110.947 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.4 mt -88.91 -4.39 58.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.373 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.7 mt -119.27 126.32 51.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.784 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.76 129.18 34.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.675 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.86 -68.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.404 -178.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -57.57 -39.51 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.087 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -60.25 -41.81 93.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.709 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 80.7 mtp -71.26 -32.66 68.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.734 0.302 . . . . 0.0 110.811 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.8 -51.32 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.253 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -68.22 -38.42 81.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.812 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.45 -45.03 81.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.562 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.81 -43.75 0.57 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.743 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 36.7 t -106.13 100.99 31.82 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -79.98 170.55 16.44 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.47 2.113 . . . . 0.0 111.817 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -99.41 135.83 40.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.437 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.5 m -60.03 -29.88 68.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.243 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -67.06 -41.65 86.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.233 0.54 . . . . 0.0 110.35 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.1 m -71.86 -39.9 69.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.602 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.76 -45.68 91.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.491 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -55.71 -45.37 77.89 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 48.3 m -57.63 -43.49 84.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.477 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -68.6 -47.5 66.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.079 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.4 mm -59.76 -39.92 81.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.08 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -60.33 -50.52 73.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.297 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.37 -35.38 80.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.672 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.43 -38.98 92.93 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -67.85 -31.21 70.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.726 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -57.51 -44.51 85.08 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.745 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -73.7 -35.24 65.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.481 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.79 -31.41 72.38 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.535 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.78 -52.87 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.39 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -35.08 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.408 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -70.8 -30.35 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.114 0.483 . . . . 0.0 110.487 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.16 28.44 60.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.533 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.7 mt -81.51 -18.51 44.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.918 0.39 . . . . 0.0 111.456 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 26.0 t -82.21 -32.56 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.0 0.429 . . . . 0.0 110.805 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -83.9 33.31 0.48 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.83 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.4 t -101.69 -0.1 35.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.517 0.675 . . . . 0.0 110.268 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -82.48 -35.01 27.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.853 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -97.26 161.59 13.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.864 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.353 -0.832 . . . . 0.0 109.582 178.91 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.437 0.636 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.29 -34.3 70.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.02 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -60.42 -35.88 76.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.53 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.2 mt -70.19 -43.13 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.056 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -64.29 -41.07 97.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.295 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.14 -37.35 87.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.67 90.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.989 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -66.55 -33.46 75.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.339 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -69.72 -14.15 62.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.728 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.87 -33.47 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -86.91 -15.21 39.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.135 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -92.64 100.79 13.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -74.36 26.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -159.03 -42.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.992 0.425 . . . . 0.0 111.454 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.89 54.49 0.92 Allowed Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -104.7 -32.49 8.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.767 0.318 . . . . 0.0 111.477 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.67 15.19 15.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.567 -0.825 . . . . 0.0 113.741 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -127.54 128.56 45.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.195 0.498 . . . . 0.0 111.626 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 20.6 pt -136.6 -179.78 3.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.433 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.67 153.77 34.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.229 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.67 -36.43 84.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.23 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.02 -46.6 80.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.138 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -61.41 -42.37 98.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.108 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 35.4 tp -53.51 -51.71 61.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -66.65 -36.27 82.16 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.188 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -64.52 -40.21 95.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.14 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 78.4 t -67.71 -41.92 85.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.906 0.384 . . . . 0.0 110.145 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.27 -42.27 90.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.503 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.82 -35.71 62.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.0 0.428 . . . . 0.0 110.717 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -64.6 -31.28 72.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.66 -19.4 65.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.182 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.67 22.59 33.33 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.203 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -68.47 132.29 46.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.959 0.409 . . . . 0.0 110.595 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -92.62 63.37 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.029 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -118.48 141.17 48.83 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.966 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 57.7 p -73.31 158.58 34.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.864 0.364 . . . . 0.0 111.079 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -30.67 69.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -62.61 -43.11 99.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.175 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.61 -38.81 90.5 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.531 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.54 -44.96 93.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -59.11 -41.69 88.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.401 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -61.92 -44.46 96.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.522 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 69.0 mtt -62.6 -36.08 81.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.705 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.48 -43.23 98.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.735 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -75.93 -14.55 60.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.916 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -87.8 -8.16 56.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.479 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -128.94 -176.05 3.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.718 0.294 . . . . 0.0 111.138 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -91.41 96.25 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.422 0.63 . . . . 0.0 110.529 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 58.2 mt -132.64 -59.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.214 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.42 108.38 13.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.602 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 115.61 -6.76 20.43 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.13 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -108.42 -160.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.778 0.289 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -113.3 -38.19 1.25 Allowed Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.719 -0.753 . . . . 0.0 113.672 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -139.79 156.38 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.014 0.407 . . . . 0.0 110.163 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 24.9 t -116.2 130.46 70.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.32 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.13 118.17 21.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.476 178.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -78.64 -22.82 46.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.45 -41.58 89.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 111.126 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -57.86 -45.22 86.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.891 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -64.06 -37.25 86.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.384 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.96 -44.82 99.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -68.48 -33.86 74.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.841 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 65.1 mtp -68.66 -40.69 80.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.369 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 20.5 ptp -78.69 -12.96 60.04 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.7 p -94.69 -26.41 16.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.932 0.396 . . . . 0.0 111.208 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.7 -12.88 59.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.981 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 54.4 mttm . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.582 -179.676 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.71 -33.68 85.32 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.878 2.386 . . . . 0.0 111.996 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.6 mt -102.0 86.99 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.658 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.4 71.41 0.1 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.488 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p -71.52 -28.42 63.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.782 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -65.49 -36.6 84.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.328 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -63.49 -29.4 70.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.441 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.9 tpt -66.98 -46.09 75.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.22 -37.31 72.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.976 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.4 tp -60.19 -50.43 73.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.63 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -63.49 -45.98 88.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.31 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -55.86 -49.93 72.0 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.1 t -68.02 -47.17 69.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -55.54 -42.81 75.14 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.17 99.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.9 ttm -80.37 -37.02 33.13 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -76.59 -10.31 59.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.742 0.306 . . . . 0.0 111.154 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -60.85 -23.31 65.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.454 0.645 . . . . 0.0 110.231 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -68.63 -24.79 64.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.0 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -92.64 120.9 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.05 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.1 mp0 -78.43 151.85 32.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.096 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 74.92 -10.05 1.27 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.637 0.586 . . . . 0.0 111.711 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.8 t -110.72 84.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.184 0.516 . . . . 0.0 110.2 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.35 153.22 18.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.132 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.5 mt -120.01 107.64 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.941 0.4 . . . . 0.0 111.26 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -92.38 -58.54 2.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.683 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -150.36 167.94 25.57 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -77.88 50.22 0.84 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.845 0.355 . . . . 0.0 111.309 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 m -152.47 -79.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.674 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -60.99 -47.5 86.15 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -11.26 58.13 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -104.74 -3.39 23.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.635 0.255 . . . . 0.0 111.544 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.3 m -69.11 -21.45 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.134 0.492 . . . . 0.0 110.943 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.1 p -82.44 -22.23 35.34 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.374 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.69 -9.78 27.98 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.758 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.9 mmm -66.45 -25.57 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 111.78 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.15 71.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.051 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -63.48 -55.83 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.976 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.77 -31.55 72.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.767 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.64 -49.85 75.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.869 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.2 tp -64.36 -40.14 95.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 47.8 mm -64.76 -47.37 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -68.82 -27.44 65.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.337 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -64.54 -30.8 71.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -96.74 -43.29 7.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -112.75 101.1 52.41 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.94 -35.15 15.81 Favored 'Trans proline' 0 CA--C 1.527 0.16 0 C-N-CA 122.977 2.451 . . . . 0.0 112.357 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -80.65 3.62 21.42 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.01 -56.88 13.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.896 0.379 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -171.34 165.32 7.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.018 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.1 101.48 13.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.233 0.54 . . . . 0.0 110.654 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -65.32 -32.99 74.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.259 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.3 -10.05 57.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.23 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -105.06 9.37 34.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.58 0.229 . . . . 0.0 111.395 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 68.9 mt -87.36 151.0 23.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.792 0.329 . . . . 0.0 111.402 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -125.88 147.28 58.34 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.422 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.91 -25.93 59.51 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.66 2.24 . . . . 0.0 111.484 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.98 -6.3 55.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.496 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -110.86 26.49 10.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.314 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -56.43 -36.77 69.36 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.988 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -58.73 -42.92 89.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.102 0.477 . . . . 0.0 110.36 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -34.73 57.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.494 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -57.24 -48.01 79.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.487 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -58.69 -49.23 78.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.8 0.333 . . . . 0.0 110.779 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.9 m -61.55 -45.02 95.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.419 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.4 tp -56.25 -46.34 79.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.483 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.02 -49.03 71.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.447 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -65.76 -43.87 87.6 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.1 p -63.86 -54.1 40.24 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.4 m -59.54 -36.74 76.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.554 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.91 97.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 0.0 110.042 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -71.86 -32.73 67.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.519 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -74.65 -17.31 60.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.454 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.2 mt -106.21 -45.93 4.19 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.09 9.97 7.48 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 50.24 54.27 11.4 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.207 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 57.9 m -67.15 140.07 57.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.696 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.5 139.22 58.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.023 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -77.05 80.4 3.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.962 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.4 mt -96.48 1.07 51.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.194 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.5 mt -144.34 142.73 30.58 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.142 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -106.24 140.88 38.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.25 -52.25 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.415 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.88 -51.71 68.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.795 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -58.55 -38.56 78.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.644 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -40.53 96.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.336 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.5 t -74.49 -32.73 30.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.295 0.569 . . . . 0.0 109.948 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 ttp85 -69.15 -54.59 14.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.1 mt -74.02 -33.64 63.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.593 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.81 -58.71 0.58 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.319 0.648 . . . . 0.0 111.306 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.2 t -98.44 111.06 59.02 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -77.41 161.74 31.35 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.683 2.256 . . . . 0.0 112.37 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.4 150.69 24.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.697 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -61.56 -37.1 82.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -62.69 -44.48 96.12 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.824 0.345 . . . . 0.0 111.243 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.9 m -61.21 -33.42 73.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.73 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 20.9 t -83.73 -39.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.95 0.405 . . . . 0.0 110.145 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -56.17 -51.85 66.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.227 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 t -66.82 -27.01 67.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.804 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -73.76 -47.72 36.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.906 0.384 . . . . 0.0 110.42 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.9 mm -68.14 -33.96 63.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -57.1 -52.88 63.5 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.289 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -67.4 -35.49 79.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.245 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.98 -46.46 87.58 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -59.3 -42.79 92.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.008 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.2 ttm-85 -60.75 -38.34 84.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.394 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.7 m -70.13 -27.76 64.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.754 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 43.3 mt -82.08 -29.18 31.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.644 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.33 -51.42 64.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.9 0.381 . . . . 0.0 110.818 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.47 -11.87 58.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.561 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -99.29 -8.3 25.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.699 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 68.2 14.21 65.91 Favored Glycine 0 C--O 1.228 -0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.741 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 76.6 mt -73.09 -29.79 63.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.934 0.397 . . . . 0.0 111.475 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.2 t -68.27 -38.48 79.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.033 0.445 . . . . 0.0 109.85 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -91.74 75.68 5.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.125 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -25.65 66.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.359 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -97.38 132.33 43.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -62.78 109.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.043 0.449 . . . . 0.0 111.72 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.4 tptp . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.018 179.657 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -55.2 -35.94 65.4 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.941 0.4 . . . . 0.0 111.272 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -58.7 -41.32 86.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.972 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 34.9 mt -64.68 -44.9 96.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.034 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -62.95 -40.45 97.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.136 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -64.75 -45.56 85.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.42 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.79 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.573 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -66.22 -32.25 73.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.841 0.353 . . . . 0.0 110.971 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -72.8 -22.37 60.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.737 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.34 -33.31 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.105 0.478 . . . . 0.0 110.453 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -73.33 -30.43 63.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.136 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -72.92 110.77 7.47 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -85.31 23.57 1.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -177.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -150.27 -41.87 0.13 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.969 0.414 . . . . 0.0 111.348 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.42 64.43 0.7 Allowed Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.0 -33.67 3.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.573 0.225 . . . . 0.0 110.932 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.08 12.1 32.51 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.392 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -119.47 116.54 26.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.726 0.298 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 25.0 pt -125.47 172.29 13.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.847 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.72 146.41 26.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.579 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.09 83.25 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.83 -44.04 97.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.536 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.34 -34.33 75.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.83 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -46.45 89.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.053 0.454 . . . . 0.0 110.306 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -66.44 -29.86 70.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.051 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -65.52 -34.37 78.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.557 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 41.9 t -70.17 -43.89 78.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.955 0.407 . . . . 0.0 110.107 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.3 -43.79 92.57 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.563 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.04 -28.97 64.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.173 0.511 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -71.83 -44.56 63.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.755 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.64 -31.8 73.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.282 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.53 42.72 3.59 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.446 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -77.08 125.12 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -79.7 64.57 4.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.097 0.475 . . . . 0.0 111.513 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 7.5 tp -119.57 146.21 45.7 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.495 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 60.5 p -79.74 150.49 30.8 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 121.114 -0.234 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.33 -33.15 67.43 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.223 0.535 . . . . 0.0 110.131 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -64.1 -41.84 97.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.448 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -66.57 -39.58 88.55 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.987 0.423 . . . . 0.0 110.392 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.34 -42.6 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.459 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -37.61 86.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.329 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.45 -44.11 97.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.46 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 62.0 mtt -63.95 -39.38 94.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.761 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 37.8 mt -59.66 -38.88 77.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.573 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -73.36 -24.35 60.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.969 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -87.01 -22.37 25.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.67 0.272 . . . . 0.0 111.399 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.31 177.09 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.922 0.391 . . . . 0.0 111.193 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -87.53 90.14 8.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 41.7 mm -108.73 -90.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -82.44 115.47 21.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.628 0.251 . . . . 0.0 110.573 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 123.27 -18.93 7.75 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.377 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -96.15 -83.23 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.845 0.323 . . . . 0.0 111.346 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 148.05 -37.07 1.1 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.405 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -127.12 129.56 48.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.745 0.273 . . . . 0.0 110.35 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 46.3 t -101.64 126.82 55.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.968 0.413 . . . . 0.0 111.443 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -83.42 129.27 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.237 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -72.51 -39.94 67.21 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -60.76 -35.84 77.41 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -52.75 -54.39 34.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.561 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -66.32 -35.14 79.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.792 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 81.1 t -61.35 -47.25 94.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.2 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -69.56 -29.72 67.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.585 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 93.0 mtp -70.96 -41.3 71.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.772 0.32 . . . . 0.0 110.719 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 20.2 ptp -76.78 -23.14 52.91 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 2.4 p -81.26 -23.2 38.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.815 0.341 . . . . 0.0 111.85 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -90.23 -0.65 57.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.599 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.823 -179.48 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.893 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.81 -38.53 85.45 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.291 2.661 . . . . 0.0 113.49 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.4 mt -108.61 -35.45 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.084 0.468 . . . . 0.0 111.178 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.31 56.31 5.06 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.838 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -69.41 -77.54 0.08 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.625 0.25 . . . . 0.0 110.848 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -62.78 -33.19 74.66 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.076 0.465 . . . . 0.0 110.607 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -61.07 -38.56 86.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.995 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.4 tpt -58.9 -49.36 78.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.515 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.5 mt -63.55 -30.65 71.74 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.85 -47.79 73.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.073 0.463 . . . . 0.0 109.959 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -70.55 -36.07 73.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.107 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -56.83 -54.15 49.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.641 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.2 p -68.15 -37.88 81.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.199 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.1 ttp85 -62.34 -42.17 99.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.65 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.51 -31.2 70.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.178 0.513 . . . . 0.0 110.958 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.5 mmt -74.07 -22.54 59.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.775 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -102.33 12.68 36.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.443 0.64 . . . . 0.0 110.506 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -69.88 -25.35 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -92.98 21.0 6.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.26 0.552 . . . . 0.0 110.905 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -119.59 152.9 36.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.92 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -108.08 149.06 28.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.445 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . 0.257 0.0 OUTLIER 65.18 -2.19 0.79 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.7 t -113.16 86.57 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.229 0.538 . . . . 0.0 110.008 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -105.84 108.67 20.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.392 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.8 mt -82.44 98.83 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.201 0.524 . . . . 0.0 110.683 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -100.04 -37.21 9.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.83 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -138.95 166.1 25.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -88.63 33.97 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 111.538 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.2 m -148.35 -60.41 0.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.181 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -50.71 71.43 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 m -78.1 0.88 23.04 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -117.78 9.08 12.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 0.0 111.383 -179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 p -66.27 -42.88 87.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.317 0.58 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 p -81.94 -15.24 54.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.754 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.97 4.86 78.74 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.145 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mmt -62.43 -37.01 84.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.719 0.295 . . . . 0.0 111.065 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.91 76.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.473 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -61.86 -53.04 61.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.169 0.509 . . . . 0.0 109.791 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.0 m -62.34 -40.04 95.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.264 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.86 97.96 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.3 tp -66.72 -48.25 69.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.337 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.62 -39.67 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.053 0.454 . . . . 0.0 110.579 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -65.76 -23.15 66.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.595 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -73.14 -22.55 60.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 111.212 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -107.43 -36.31 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.869 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -116.92 99.81 53.09 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.768 0.318 . . . . 0.0 111.113 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -73.06 -26.18 15.33 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.968 2.446 . . . . 0.0 112.031 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -88.52 -1.31 57.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.397 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.41 -68.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.938 0.399 . . . . 0.0 111.127 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -160.15 159.25 31.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.126 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -89.7 105.06 17.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.056 0.455 . . . . 0.0 110.636 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -65.06 -32.98 74.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.395 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.69 -19.92 66.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.15 8.34 42.75 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.099 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.8 mt -86.94 134.41 33.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.95 0.405 . . . . 0.0 111.276 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -115.6 134.38 22.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.511 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -54.82 -21.43 25.83 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.062 2.508 . . . . 0.0 112.647 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.32 -23.51 67.32 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.988 0.423 . . . . 0.0 110.536 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -99.24 31.43 3.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.977 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -54.89 -39.46 68.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.565 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -13.58 60.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.937 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -105.23 -19.6 13.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.041 0.448 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -41.56 99.3 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.709 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -60.47 -47.44 86.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.749 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.53 -45.98 91.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.717 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.01 -49.17 77.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.786 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.96 65.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.449 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -62.46 -56.61 16.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.3 m -53.92 -40.1 66.4 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.4 m -68.88 -44.03 74.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.407 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.43 -35.48 80.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.129 0.49 . . . . 0.0 110.197 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.64 -16.5 62.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.094 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -101.16 -45.97 5.21 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.4 mt -80.67 -37.14 31.38 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.79 -9.54 13.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.4 t70 57.59 51.69 9.26 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.488 0.661 . . . . 0.0 110.658 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.6 p -79.6 145.1 33.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.966 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.89 125.59 29.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.785 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.92 85.5 1.27 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.526 0.679 . . . . 0.0 111.932 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.2 mt -87.8 4.9 42.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.817 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.0 mt -142.28 144.42 33.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.32 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -99.39 128.5 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.189 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 88.9 t -52.26 -57.37 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.797 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.57 -39.73 81.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.732 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -62.3 -41.0 98.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.008 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.1 mtp -68.69 -31.69 70.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.972 0.415 . . . . 0.0 110.658 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.8 t -70.63 -46.9 67.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.418 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -68.75 -44.15 74.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.334 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.99 -32.03 63.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.568 0.223 . . . . 0.0 111.321 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 74.89 -51.57 0.67 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.38 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.3 t -98.74 112.29 62.34 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.722 0.296 . . . . 0.0 110.788 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -82.24 137.75 9.62 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.669 2.246 . . . . 0.0 111.575 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.63 132.03 48.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.186 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.8 m -57.24 -36.05 70.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.576 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -62.07 -54.19 44.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.7 m -57.7 -41.49 81.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.57 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.76 -45.08 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.961 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -59.81 -47.91 83.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.844 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.0 m -57.11 -42.04 80.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -64.59 -46.48 82.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.437 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.6 mm -65.47 -37.6 80.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -58.74 -47.34 84.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.384 . . . . 0.0 111.12 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -72.45 -36.13 68.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.537 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.27 -33.23 75.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.309 0.576 . . . . 0.0 109.881 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -62.0 -34.22 75.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.133 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -61.27 -46.21 91.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.545 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -61.15 -31.08 70.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.0 mt -75.99 -27.27 57.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.2 t -70.86 -51.14 38.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.147 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -65.25 -25.54 67.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.596 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -83.26 -6.23 59.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.377 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.59 27.6 73.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.524 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 96.7 mt -90.69 -25.22 20.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.746 0.307 . . . . 0.0 111.577 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.03 -42.77 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.015 0.436 . . . . 0.0 111.449 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -83.16 26.61 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.918 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.3 t -71.16 -14.54 62.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.036 0.446 . . . . 0.0 110.824 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -88.43 -5.0 58.53 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.075 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -111.24 150.96 28.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.405 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.425 -179.852 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 121.043 0.449 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -63.95 -35.02 79.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -58.16 -30.81 66.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.933 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 86.9 mt -67.92 -48.16 76.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.701 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -66.71 -37.67 85.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.614 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -60.21 -33.38 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.05 -41.62 58.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.044 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -65.56 -35.43 80.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.18 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -66.74 -19.38 65.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.435 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 95.2 t -71.12 -33.69 52.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.978 0.418 . . . . 0.0 110.049 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -74.77 -26.37 59.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -80.92 139.39 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.34 8.18 19.52 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -139.85 -34.35 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.784 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.17 35.87 3.53 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -88.91 -29.47 19.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.502 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.05 20.69 45.16 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.394 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -128.74 127.11 41.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.757 0.313 . . . . 0.0 111.683 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.0 pt -134.82 179.59 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.952 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 43.0 p -91.99 166.48 12.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.747 0.308 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.48 -34.59 76.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.403 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.35 84.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.112 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.1 -47.95 63.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.536 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.6 tp -51.54 -48.36 63.06 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.39 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -28.95 69.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.913 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -77.51 -26.76 51.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.132 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 11.6 t -69.3 -42.68 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 96.2 mtp -59.82 -42.38 93.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.105 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -43.8 72.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.734 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -66.96 -21.22 65.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.43 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.89 -16.41 61.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.44 11.99 43.03 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.321 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -69.81 137.22 51.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.902 0.382 . . . . 0.0 110.42 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -100.16 16.24 24.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.336 0.589 . . . . 0.0 110.214 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 tp -68.9 134.89 50.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.945 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 39.4 p -70.96 157.39 38.27 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.035 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -58.99 -35.53 73.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.234 0.54 . . . . 0.0 109.69 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -61.42 -43.72 98.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.521 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -63.16 -35.49 80.46 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.973 0.416 . . . . 0.0 110.624 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 39.0 t -74.36 -39.24 48.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -58.27 -37.53 75.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.063 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -62.48 -41.48 98.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.342 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mtt -66.77 -37.63 84.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.269 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.72 -30.27 49.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.245 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -84.56 -0.66 54.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.844 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -115.36 11.46 16.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.96 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -139.57 159.19 42.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.654 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -76.66 93.38 3.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.755 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 30.3 mt -126.52 -63.94 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.801 0.334 . . . . 0.0 111.086 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -71.48 108.71 5.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.763 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 105.51 12.63 26.24 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.55 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -117.4 -84.13 0.64 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.526 -0.397 . . . . 0.0 111.59 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 159.9 -50.99 0.37 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.853 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -143.72 149.79 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.898 0.349 . . . . 0.0 111.213 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -119.99 146.39 24.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.128 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -94.28 133.91 37.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -69.36 -17.2 63.67 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -54.06 -53.18 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.564 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -60.73 -48.26 82.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -60.0 -42.92 95.3 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.42 -42.4 93.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -67.58 -37.92 83.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.207 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 82.9 mtp -67.79 -43.38 79.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.32 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 19.8 ptp -71.69 -18.31 62.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.8 p -91.46 -17.43 25.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.813 0.34 . . . . 0.0 111.263 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.15 -0.05 50.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.561 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 40.0 mttm . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.867 179.53 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.593 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.48 150.19 75.2 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.666 2.244 . . . . 0.0 111.79 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt -130.46 136.54 49.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.731 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.32 89.86 1.74 Allowed Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.645 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -27.34 69.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.99 0.424 . . . . 0.0 111.499 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -63.92 -19.02 64.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.023 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -67.23 -30.21 70.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.96 0.41 . . . . 0.0 110.695 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.3 tpt -64.02 -52.95 57.08 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.324 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.18 -34.32 77.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.22 -50.2 74.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.446 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -66.67 -43.53 84.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.62 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -61.28 -49.24 77.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.514 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.7 t -66.82 -41.96 86.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.652 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -64.08 -34.79 78.84 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.875 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.39 -16.72 64.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.227 0.537 . . . . 0.0 110.872 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.8 mmt -93.33 -39.06 11.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.693 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 p -77.81 -22.92 49.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.763 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -10.75 27.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.044 0.45 . . . . 0.0 111.41 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -81.36 -11.36 59.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.411 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -104.55 -169.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.307 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' C ' ' H ' ' A' ' 23' ' ' VAL . 1.4 pp20? -135.08 150.76 50.3 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 74.51 -12.56 0.89 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.086 0.47 . . . . 0.0 110.829 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.419 ' H ' ' C ' ' A' ' 21' ' ' GLU . 6.1 t -115.65 90.43 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.069 0.461 . . . . 0.0 111.317 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -118.31 133.54 55.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.792 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.6 mt -88.39 104.84 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.249 0.547 . . . . 0.0 111.719 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -103.09 -48.53 4.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.295 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -142.78 145.06 32.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.119 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -61.66 -20.05 62.99 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 m -107.47 -41.17 5.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.773 0.32 . . . . 0.0 111.588 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -74.59 -29.99 61.53 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -97.79 -9.09 27.13 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -107.56 9.48 29.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.807 0.337 . . . . 0.0 111.551 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.89 -31.97 66.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.442 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.52 -29.31 56.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.35 -15.47 61.18 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.351 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.1 mmm -61.12 -24.59 66.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.809 0.338 . . . . 0.0 111.725 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.65 81.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.435 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -65.44 -50.82 63.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.971 0.415 . . . . 0.0 110.78 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -35.59 79.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.44 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.42 97.48 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.801 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.1 tp -72.19 -42.55 65.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.34 -42.2 94.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.955 0.407 . . . . 0.0 110.399 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -65.94 -24.59 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.879 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.12 -36.22 81.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.219 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -98.8 -40.88 7.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.776 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -111.56 95.22 26.25 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.781 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.81 -27.7 17.62 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.848 2.365 . . . . 0.0 111.97 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -82.19 -11.5 58.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.51 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.67 -61.14 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.93 0.395 . . . . 0.0 111.483 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -167.0 154.94 9.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.535 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -80.23 121.26 25.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.943 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -73.81 -27.52 61.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.303 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.5 -22.21 57.35 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.158 0.504 . . . . 0.0 110.413 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -91.6 4.34 52.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.79 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.5 mt -101.39 138.49 38.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.431 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -122.69 152.5 62.16 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.621 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.68 -27.96 68.87 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.011 2.474 . . . . 0.0 114.357 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.69 -33.62 76.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.951 0.405 . . . . 0.0 110.823 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -84.88 29.27 0.64 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.726 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -53.29 -34.32 56.86 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -39.56 89.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.119 0.485 . . . . 0.0 110.464 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -79.78 -33.1 40.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.835 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -59.87 -50.64 72.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.502 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -57.87 -47.34 83.02 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.978 178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.3 m -59.77 -48.62 80.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.758 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.6 tp -60.3 -46.47 89.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.405 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.26 -50.65 69.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.31 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -59.69 -46.96 87.48 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.9 p -63.79 -48.98 74.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.722 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.3 m -62.34 -34.39 76.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.343 . . . . 0.0 110.815 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.61 73.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.123 0.487 . . . . 0.0 110.193 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -87.11 -38.38 16.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.002 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -69.72 -33.48 72.54 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 74.0 mt -107.0 -34.96 7.02 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.57 -5.32 17.61 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 61.98 28.27 17.16 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.456 0.472 . . . . 0.0 111.741 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.0 t -62.7 159.74 15.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.009 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.82 131.51 44.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.902 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -76.59 84.71 3.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.001 0.429 . . . . 0.0 110.144 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 82.7 mt -86.88 -10.75 52.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.522 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.9 mt -135.5 154.51 51.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.124 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.14 142.18 34.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.867 0.365 . . . . 0.0 110.776 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.14 -58.93 5.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.499 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.68 -37.38 78.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.651 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.03 -50.52 71.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.436 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.3 mtp -62.86 -37.38 86.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.5 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.85 -41.21 87.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.861 0.363 . . . . 0.0 110.289 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -66.18 -50.41 64.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.909 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.03 -42.97 88.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 70.15 -5.05 1.38 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.448 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.4 t -137.16 102.08 9.12 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -80.88 156.38 20.6 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.535 2.157 . . . . 0.0 112.286 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.66 135.78 33.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.1 m -58.56 -37.22 75.27 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -64.56 -50.09 68.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.325 . . . . 0.0 111.023 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 33.9 m -60.94 -43.85 98.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.007 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.25 -39.82 86.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.525 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -58.35 -45.01 88.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.3 m -65.14 -38.49 90.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.351 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -62.55 -44.26 96.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.602 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 47.3 mm -69.18 -36.88 75.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.469 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -54.55 42.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.386 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -62.16 -33.87 75.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 57.9 tp -67.18 -47.98 69.32 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -60.6 -43.75 97.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.613 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -55.03 -46.77 75.3 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.247 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.9 m -67.18 -41.76 85.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.536 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.96 -38.35 88.19 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.809 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 51.3 t -69.35 -42.74 81.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -38.24 84.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.989 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -83.54 -7.99 59.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.249 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.31 30.57 66.95 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.553 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 61.0 mt -86.39 -32.42 20.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.915 0.388 . . . . 0.0 111.207 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.72 -30.91 51.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.315 0.578 . . . . 0.0 109.7 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -83.12 36.19 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.145 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -78.75 -1.13 33.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.041 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -80.85 59.89 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.532 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -128.75 145.97 51.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.694 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 42.9 tptt . . . . . 0 C--O 1.244 0.815 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.009 179.84 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.97 0.414 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 30.5 mp0 -56.55 -40.98 76.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.574 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -60.86 -41.64 96.28 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.053 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.16 -48.08 89.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.409 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 37.8 mtp85 -62.76 -40.99 99.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.474 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -60.89 -48.76 80.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.705 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.01 74.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.137 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -67.97 -34.28 76.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.929 0.395 . . . . 0.0 111.495 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -66.51 -34.79 78.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.406 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 64.3 t -69.07 -29.67 43.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.295 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -72.98 -25.81 61.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -85.57 158.69 20.07 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -128.45 -0.1 5.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.909 0.385 . . . . 0.0 111.399 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.95 -38.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.235 0.54 . . . . 0.0 110.256 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.38 57.19 0.72 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -117.18 -32.44 5.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.852 0.358 . . . . 0.0 110.69 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.51 15.26 60.39 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.172 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -96.98 116.31 28.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.697 0.284 . . . . 0.0 111.397 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.4 pt -139.13 157.67 28.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.147 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.99 172.37 9.17 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.84 74.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.0 -55.83 29.88 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.334 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -59.93 -50.48 73.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.696 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 24.1 tp -52.54 -50.92 61.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.955 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -60.22 -41.41 93.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.36 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -68.23 -36.58 79.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.758 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.4 -48.59 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.693 0.282 . . . . 0.0 110.443 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 78.5 mtp -58.01 -41.35 82.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.804 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.91 -34.4 64.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.915 0.388 . . . . 0.0 111.397 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -74.82 -19.81 60.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 111.221 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.55 -18.6 62.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.251 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.4 -0.66 40.17 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.199 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -61.27 123.63 18.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.733 0.301 . . . . 0.0 110.676 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -91.57 33.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.623 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -79.44 148.22 32.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.191 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.85 154.79 41.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.159 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -35.78 79.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.281 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -65.85 -31.72 72.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.154 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.08 -44.77 91.36 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 4.0 t -64.87 -45.41 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.393 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -47.92 83.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.134 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -63.53 -39.73 95.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.58 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 70.7 mtm -68.89 -36.32 77.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.093 0.473 . . . . 0.0 110.389 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 31.2 mt -66.03 -31.96 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -75.99 -6.96 53.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.786 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -98.85 -1.74 39.48 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -115.7 160.78 19.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.058 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -82.99 59.41 4.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.604 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 44.8 mt -94.81 -54.01 7.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.322 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -73.65 124.27 25.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.057 0.456 . . . . 0.0 111.306 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.22 3.14 65.48 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.632 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.52 -72.89 0.66 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.603 0.24 . . . . 0.0 111.484 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 157.15 -104.98 0.26 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.236 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -104.74 155.18 19.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.728 0.299 . . . . 0.0 110.199 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 16.3 m -127.65 173.39 13.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.162 0.506 . . . . 0.0 111.227 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -101.39 137.27 39.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.885 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -67.9 -17.14 64.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -55.19 -42.11 72.82 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.12 -49.54 76.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.961 0.41 . . . . 0.0 111.062 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -65.11 -30.96 71.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.99 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.38 -44.39 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -66.06 -38.02 87.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.151 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 57.2 mtt -66.09 -46.42 77.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.467 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 62.2 mtm -60.89 -36.12 78.42 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.2 p -79.65 -5.31 54.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.173 0.511 . . . . 0.0 111.562 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -117.38 11.95 14.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.207 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 73.6 tttt . . . . . 0 C--O 1.248 1.011 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.84 -179.711 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -72.94 -8.2 21.9 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.043 2.495 . . . . 0.0 112.549 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.72 32.53 2.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.057 0.456 . . . . 0.0 110.534 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.61 112.18 0.6 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.564 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -29.21 70.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.025 0.44 . . . . 0.0 111.39 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -65.04 -27.56 68.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.08 -36.62 83.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.05 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -62.63 -51.58 66.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.231 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.37 -36.68 83.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.2 tp -64.41 -46.6 82.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.434 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -61.17 -43.9 98.15 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.966 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -60.36 -52.86 63.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.79 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.4 m -67.51 -47.78 68.98 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -58.08 -37.01 73.67 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.16 90.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.018 0.437 . . . . 0.0 110.677 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.0 mtt -81.63 -22.67 37.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.329 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.5 m -64.24 -29.9 70.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.228 0.537 . . . . 0.0 110.64 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -67.94 -8.5 37.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.829 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.9 -3.49 59.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.962 0.41 . . . . 0.0 110.377 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -121.22 -174.62 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.761 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.08 150.25 50.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.509 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 69.35 8.45 6.8 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.724 0.64 . . . . 0.0 111.921 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.8 t -120.41 117.35 53.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -131.03 103.61 6.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.28 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.1 mt -92.83 104.65 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -101.8 -34.46 9.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.857 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -148.75 165.54 31.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.391 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -87.58 68.57 9.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.819 0.342 . . . . 0.0 110.823 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.3 p -167.01 -91.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.592 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -37.46 82.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.191 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.2 m -69.16 -10.85 59.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.042 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -106.74 -3.65 20.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.149 -0.221 . . . . 0.0 111.503 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.8 m -67.87 -15.14 63.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.166 0.508 . . . . 0.0 111.235 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -20.41 58.5 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.69 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.29 -44.36 2.41 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.356 -0.449 . . . . 0.0 112.858 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.6 mmm -50.59 -31.75 16.79 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.477 0.711 . . . . 0.0 112.481 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.28 -38.69 71.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -66.27 -52.11 50.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.024 0.44 . . . . 0.0 110.738 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.6 m -64.57 -32.97 74.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.617 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.18 87.64 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 110.672 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.3 tp -64.3 -48.29 76.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.572 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.1 mm -60.07 -41.42 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.006 0.431 . . . . 0.0 110.839 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -64.79 -21.79 66.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.533 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -34.56 64.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.732 0.301 . . . . 0.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -92.97 -39.58 11.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -120.79 83.21 35.91 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.515 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -73.33 -15.43 25.21 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.674 2.25 . . . . 0.0 111.436 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -87.29 -2.36 58.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.009 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.24 -66.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.65 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -151.37 162.37 41.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.504 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -84.57 125.97 32.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.373 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -74.38 -29.7 61.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.752 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.11 -21.07 60.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.762 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -88.82 2.31 53.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.91 0.386 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.2 mt -92.88 102.02 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.098 0.475 . . . . 0.0 110.376 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.23 152.44 50.29 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.523 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -59.57 -24.01 73.4 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.047 2.498 . . . . 0.0 112.311 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.16 -11.25 58.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.044 0.45 . . . . 0.0 110.768 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -97.8 23.76 7.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.114 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -55.26 -40.89 71.51 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -62.73 -45.47 92.56 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -70.42 -30.9 67.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.245 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -59.91 -51.9 67.74 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.825 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -58.65 -45.5 89.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.876 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -62.82 -43.72 98.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.51 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 tp -59.59 -49.56 77.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.969 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.49 -52.07 66.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.96 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -67.15 -54.85 17.4 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.7 m -60.3 -39.48 87.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.1 m -72.85 -43.52 62.51 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.295 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.25 93.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.309 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.96 -37.56 86.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.309 0.576 . . . . 0.0 110.185 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -71.97 -29.15 63.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.567 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -92.38 -50.82 5.44 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.86 19.5 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 40.02 62.77 1.19 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 23.3 p -75.43 146.94 40.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.718 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.09 114.58 8.39 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -72.27 78.42 0.99 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.261 0.553 . . . . 0.0 111.23 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.6 mt -91.71 10.88 26.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 mt -142.06 138.06 31.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.6 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -107.38 138.49 43.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.081 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.0 t -57.73 -58.33 6.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.376 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.64 -47.27 70.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.96 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.79 -45.24 93.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.694 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 82.1 mtp -65.31 -39.11 92.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.22 -36.69 73.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.085 0.469 . . . . 0.0 109.995 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -67.21 -48.64 67.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.517 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.7 mt -78.05 -33.66 50.85 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 75.06 -50.36 0.66 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.523 0.729 . . . . 0.0 111.626 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.7 t -101.35 109.27 58.38 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -75.26 173.93 13.66 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.847 2.364 . . . . 0.0 111.259 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -94.6 144.72 25.37 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.971 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m -63.4 -35.71 81.3 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -68.55 -38.94 81.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.946 0.403 . . . . 0.0 110.702 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 27.5 m -65.6 -48.14 73.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.01 -43.09 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -56.18 -48.52 76.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.4 m -68.04 -37.55 81.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.723 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.24 -46.53 86.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.051 0.453 . . . . 0.0 110.673 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 51.2 mm -71.66 -31.18 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.137 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -55.91 -58.29 8.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.961 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.92 -34.63 78.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.477 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.5 tp -61.86 -45.77 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.994 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -59.11 -46.58 87.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.851 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -57.61 -40.94 80.27 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.194 0.521 . . . . 0.0 110.99 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 m -67.54 -26.32 66.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.803 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.57 -21.09 24.25 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.49 -56.4 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.541 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.64 -16.59 63.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.884 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -87.7 -13.87 41.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.97 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 77.62 8.84 87.16 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.995 -0.621 . . . . 0.0 113.052 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.5 mt -72.23 -35.38 68.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 110.991 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.4 t -75.07 -27.27 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.358 0.599 . . . . 0.0 109.932 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -83.69 61.33 6.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.229 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.55 6.61 33.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.727 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -152.39 132.19 13.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.677 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -136.56 110.47 8.21 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.892 -179.352 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.762 0.315 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 40.0 mp0 -58.46 -49.68 76.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.702 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -58.29 -39.4 79.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.629 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 49.5 mt -63.1 -48.08 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.975 0.417 . . . . 0.0 109.935 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -69.84 -33.14 71.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.057 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.66 -38.93 92.99 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.09 95.72 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.025 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -68.33 -34.6 76.41 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -66.38 -23.89 66.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.444 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 96.5 t -64.75 -33.21 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -76.42 -42.2 44.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.556 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -62.46 152.03 35.59 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.39 -0.83 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -134.21 -13.26 2.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.58 53.69 3.73 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -107.47 -31.35 8.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.892 0.377 . . . . 0.0 110.799 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.44 11.92 68.12 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.783 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -116.43 121.95 43.37 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.937 0.399 . . . . 0.0 111.073 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.2 pt -136.07 -173.95 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.685 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 60.6 p -106.0 172.19 6.94 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.81 -29.55 68.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.156 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.98 -51.88 66.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.195 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -67.31 -41.28 85.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.007 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.41 -54.11 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.081 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -70.14 -6.16 32.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -96.6 -13.48 22.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.201 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.4 t -78.19 -56.45 7.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.4 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -56.04 -38.76 70.99 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.414 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.35 -35.25 75.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.071 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -77.81 -27.42 50.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.952 0.406 . . . . 0.0 110.752 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.24 -25.42 62.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.254 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.99 10.0 50.46 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.541 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.79 128.44 36.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.297 . . . . 0.0 110.965 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -76.43 66.64 2.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.669 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 15.1 tp -113.8 125.46 54.11 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.031 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 10.7 p -70.3 148.42 48.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.027 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -60.09 -25.88 65.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.082 0.467 . . . . 0.0 110.297 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.09 -48.26 79.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.049 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -67.75 -38.21 83.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.554 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.54 -45.31 98.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -33.87 76.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.977 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.41 -44.21 79.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.135 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 67.5 mtt -63.82 -43.3 96.65 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.257 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 38.3 mt -61.83 -31.41 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.993 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -28.23 39.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.548 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -69.97 -41.58 74.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.392 . . . . 0.0 110.191 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.42 154.18 22.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.453 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -78.25 85.37 4.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.348 0.594 . . . . 0.0 111.343 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 27.3 mt -107.37 -57.64 4.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.766 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.33 125.2 25.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.856 0.36 . . . . 0.0 110.7 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.06 -22.91 30.39 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.385 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -91.47 -79.22 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.205 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 130.08 -34.38 2.74 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.019 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -134.21 122.17 22.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.959 0.379 . . . . 0.0 111.045 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 9.7 m -118.28 136.25 56.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.29 0.567 . . . . 0.0 112.301 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.01 127.6 33.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.98 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -67.91 -16.53 64.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.095 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -47.95 -56.56 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -54.22 -41.66 68.92 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -66.76 -39.45 87.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.857 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.38 -48.39 81.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.403 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -59.78 -41.78 91.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.764 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 1.4 ttm -59.59 -44.74 93.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.199 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 67.2 mtm -63.35 -43.47 97.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.376 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 4.4 m -68.99 -17.41 63.92 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.022 0.439 . . . . 0.0 111.335 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.22 -7.4 48.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.07 0.462 . . . . 0.0 111.019 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.142 179.899 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.873 0 N-CA-C 111.915 -0.474 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -62.08 -25.32 77.33 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.144 2.563 . . . . 0.0 112.712 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.4 mt -100.85 16.63 24.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.056 0.455 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.0 108.75 1.69 Allowed Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.987 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.17 -35.16 79.38 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 122.594 0.357 . . . . 0.0 111.383 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -64.29 -36.99 85.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.916 0.389 . . . . 0.0 110.481 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -75.32 -32.64 61.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -58.52 -51.71 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.927 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.8 mt -68.38 -34.79 76.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.452 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.6 tp -60.94 -49.41 77.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.649 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -62.61 -42.69 99.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.97 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -56.54 -49.87 73.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.077 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.8 m -70.89 -37.0 72.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.671 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -58.46 -35.14 71.7 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.56 -37.32 85.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.114 0.483 . . . . 0.0 110.622 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.1 mtt -77.72 -25.62 49.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.725 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -65.17 -26.35 68.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.134 0.492 . . . . 0.0 110.473 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -73.87 -3.85 31.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.77 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -102.19 -11.22 18.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.381 . . . . 0.0 111.405 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -104.4 -175.01 2.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.415 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -135.28 143.82 46.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.669 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 68.03 19.06 9.4 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.651 0.594 . . . . 0.0 111.395 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.4 t -125.83 126.25 69.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.32 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -140.97 114.44 8.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.791 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 66.2 mt -99.25 111.89 30.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -95.25 -42.28 8.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.434 0.635 . . . . 0.0 109.429 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -157.35 -176.74 6.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.609 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -90.8 56.69 3.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.857 0.361 . . . . 0.0 110.677 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 p -151.93 -94.53 0.05 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -35.22 70.29 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -178.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.78 -14.26 62.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.909 0.385 . . . . 0.0 111.887 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -107.65 4.1 25.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.416 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.0 m -72.44 -15.72 61.82 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.029 0.442 . . . . 0.0 111.174 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -16.47 31.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.83 -36.93 2.66 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.22 -0.515 . . . . 0.0 112.749 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 mmt -46.68 -37.67 8.68 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.07 -34.81 61.08 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -69.1 -53.79 18.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.843 0.354 . . . . 0.0 110.681 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 m -62.83 -33.07 74.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.795 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.78 -46.05 92.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.554 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.63 -45.69 78.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.695 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.7 mm -62.48 -43.23 98.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.029 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -63.17 -30.49 71.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.652 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -68.47 -41.55 79.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.022 0.439 . . . . 0.0 110.661 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -84.23 -35.5 23.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.984 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -121.99 93.49 48.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 120.837 0.351 . . . . 0.0 111.487 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -72.72 -13.66 27.01 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.904 2.402 . . . . 0.0 110.935 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -93.65 -1.85 54.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.887 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.08 -61.08 2.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.855 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -165.9 164.7 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.531 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -88.85 113.76 24.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -65.94 -24.44 66.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.463 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.22 -21.33 61.41 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -94.9 4.37 53.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.43 0.633 . . . . 0.0 110.79 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -93.15 125.63 37.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.918 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -116.24 150.37 45.16 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.363 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.82 -22.54 74.56 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.018 2.478 . . . . 0.0 111.98 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.68 -21.18 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.391 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -98.11 50.95 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -62.27 -47.16 85.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.998 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -61.85 -44.56 96.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.133 0.492 . . . . 0.0 110.205 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -35.14 79.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.77 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -60.08 -50.11 75.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.444 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -63.4 -44.19 95.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.578 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.2 m -60.36 -53.57 55.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.739 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.6 tp -56.39 -46.81 79.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.539 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.05 -55.94 28.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.76 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -60.82 -49.72 76.34 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.0 m -59.92 -43.04 95.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.5 m -68.71 -40.29 80.03 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.15 77.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.902 0.382 . . . . 0.0 110.314 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -74.13 -42.02 60.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.371 0.605 . . . . 0.0 110.217 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.47 -43.96 62.98 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.9 mt -96.48 -28.02 14.61 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.12 0.13 12.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 45.26 43.05 7.76 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 16.6 p -85.51 153.54 22.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.076 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.53 145.55 39.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.894 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -103.22 89.86 3.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.803 0.335 . . . . 0.0 111.452 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.83 -12.97 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.355 0.598 . . . . 0.0 110.654 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.6 mt -122.03 140.27 52.69 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -111.96 142.28 44.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.131 0.491 . . . . 0.0 111.66 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.1 t -52.37 -49.39 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.137 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -38.18 78.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -33.74 32.96 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.133 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.4 mtp -65.12 -45.75 83.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.693 0.282 . . . . 0.0 111.697 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -69.0 -25.42 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.234 0.54 . . . . 0.0 110.626 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -81.86 -49.44 10.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.694 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 70.5 mt -71.41 -39.78 70.9 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 74.61 -44.22 0.55 Allowed 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.737 0.648 . . . . 0.0 112.397 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.43 106.34 35.41 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -72.19 157.96 52.9 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.069 2.513 . . . . 0.0 112.521 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.81 132.42 33.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.573 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.6 m -57.51 -38.1 74.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.419 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -71.43 -50.8 28.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.935 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 85.8 m -56.84 -45.38 82.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.199 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.71 -42.93 96.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.982 0.42 . . . . 0.0 109.968 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.44 -48.83 79.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.5 m -60.01 -36.12 76.53 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 111.188 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -65.7 -49.49 68.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.119 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 48.3 mm -66.93 -32.59 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.033 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -57.85 -56.73 18.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.187 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.29 -36.12 82.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.0 -42.44 97.18 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -58.75 -42.52 89.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.846 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -56.66 -51.5 68.49 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.983 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.0 m -62.19 -41.82 98.71 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.071 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.38 -36.86 85.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.382 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.3 t -73.79 -46.21 47.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.244 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -66.07 -27.63 68.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.903 0.382 . . . . 0.0 111.942 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -87.51 3.6 46.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.982 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 63.68 31.81 82.04 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.958 -0.564 . . . . 0.0 113.516 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.42 -33.76 13.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.857 0.36 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.61 -31.66 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.24 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -82.98 53.06 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.816 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -25.15 58.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.347 0.594 . . . . 0.0 110.073 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -126.64 111.88 14.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.818 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -113.92 117.41 31.31 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt . . . . . 0 C--O 1.253 1.265 0 CA-C-O 117.853 -1.07 . . . . 0.0 110.556 -178.863 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.56 -31.82 68.34 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.141 0.496 . . . . 0.0 110.343 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 40.1 mp0 -60.53 -32.53 71.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.482 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.69 -41.53 13.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.1 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 16.3 ttp85 -59.91 -46.79 88.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.939 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.46 -41.48 96.49 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.59 91.68 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.627 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -65.81 -36.1 82.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.663 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 33.7 ttt-85 -69.53 -24.57 63.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 84.4 t -66.38 -25.17 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.324 0.583 . . . . 0.0 109.678 178.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -82.47 -21.42 35.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.3 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -75.35 118.59 18.41 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -102.17 3.39 38.37 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.92 -30.29 2.03 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.551 -0.46 . . . . 0.0 112.236 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.56 73.72 1.23 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.05 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -156.61 -14.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.65 0.262 . . . . 0.0 111.678 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.9 9.1 66.38 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.869 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -102.17 126.54 49.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.408 -0.396 . . . . 0.0 110.509 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 16.4 pt -133.68 176.92 7.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.147 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.09 159.06 16.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.141 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.95 -20.37 65.88 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.97 -58.54 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.856 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -68.84 -31.2 69.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 43.0 tp -52.54 -51.87 57.59 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.391 0.432 . . . . 0.0 111.778 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -68.56 -25.78 65.07 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.999 0.428 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -76.1 -25.39 55.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.081 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.72 -47.26 83.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 72.9 mtp -62.19 -39.82 94.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.395 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.29 -38.39 68.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.153 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.15 -37.76 81.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.23 -21.49 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.047 0.451 . . . . 0.0 110.91 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.96 36.67 7.6 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.332 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.07 146.79 49.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.7 0.286 . . . . 0.0 110.365 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -95.75 14.98 21.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.101 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 tp -76.33 133.51 39.96 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 54.4 p -69.55 155.93 39.7 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.785 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.77 -31.58 69.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.075 0.464 . . . . 0.0 110.051 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -65.69 -46.61 78.37 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.905 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -60.5 -38.31 83.92 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.802 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.95 -46.73 95.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -36.22 82.86 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.188 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.64 -44.46 96.37 Favored 'General case' 0 N--CA 1.458 -0.068 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.936 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 50.5 mtt -66.07 -39.1 89.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.778 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 67.2 mt -57.85 -40.98 78.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.123 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -76.67 -17.69 58.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.976 -0.557 . . . . 0.0 112.014 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -82.97 -36.92 24.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.064 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.9 -165.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.566 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -112.73 108.79 17.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.237 0.541 . . . . 0.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 52.1 mt -134.8 -72.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.606 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -71.04 130.57 41.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.062 0.458 . . . . 0.0 110.283 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.32 6.91 88.31 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.753 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.05 -13.21 9.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.88 0.371 . . . . 0.0 111.592 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.83 -95.11 1.44 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.558 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -110.52 167.62 10.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -112.31 148.6 15.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.366 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -107.11 150.58 26.41 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -93.11 -14.43 27.26 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.75 -47.4 84.79 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -63.22 -40.92 98.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.926 0.393 . . . . 0.0 111.045 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -66.39 -42.95 87.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.243 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 77.0 t -61.36 -47.01 95.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.695 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -58.72 -43.09 90.05 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.061 0.458 . . . . 0.0 110.61 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 47.1 ttp -65.01 -36.72 85.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 25.7 ttm -69.7 -42.02 74.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.463 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 2.9 p -72.78 -34.63 67.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.88 0.371 . . . . 0.0 111.905 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.83 75.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.569 -179.839 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.007 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -81.55 35.95 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.772 2.315 . . . . 0.0 112.093 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -124.99 23.47 7.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.065 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.81 138.12 5.99 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.682 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 p -68.8 -32.46 72.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.184 0.516 . . . . 0.0 110.985 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -62.78 -31.86 72.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.638 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -61.42 -36.36 80.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.757 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.8 ttt -58.95 -52.1 67.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.652 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.47 -34.65 74.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.895 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.5 tp -60.1 -55.61 31.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.887 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -63.97 -36.52 84.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.802 0.334 . . . . 0.0 111.044 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -56.63 -51.56 68.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.761 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.8 m -75.18 -34.92 61.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.574 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.16 -39.67 72.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.303 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.73 84.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.887 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.6 ptp -78.93 -11.28 60.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m -70.44 -23.8 62.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.27 0.557 . . . . 0.0 109.858 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -80.7 -5.47 57.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.156 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -97.84 -18.4 18.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -104.9 158.98 16.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.279 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -114.21 150.13 34.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.247 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 71.21 17.15 6.07 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.607 0.567 . . . . 0.0 111.444 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -130.93 133.54 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.835 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -145.31 91.97 2.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.051 0.453 . . . . 0.0 110.51 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 61.8 mt -80.12 95.05 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.306 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -92.02 -41.93 10.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.389 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -150.96 152.21 33.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.672 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -75.21 66.89 1.77 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.806 0.336 . . . . 0.0 111.618 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -166.1 -81.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.046 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.78 -30.03 66.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.509 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -82.65 -1.75 52.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -114.18 3.01 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.564 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -74.38 -14.87 60.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.193 0.52 . . . . 0.0 110.357 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -23.29 60.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.09 -44.83 2.89 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.019 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 78.0 mmm -50.06 -29.52 9.02 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.303 0.641 . . . . 0.0 112.681 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.33 -36.37 66.19 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -63.43 -53.18 56.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.948 0.404 . . . . 0.0 111.006 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.9 m -63.99 -34.89 79.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.458 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.01 98.04 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 110.576 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.51 -48.79 73.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.717 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.8 mm -61.8 -37.36 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.025 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -61.06 -26.16 67.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.098 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -72.68 -20.44 61.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.02 0.438 . . . . 0.0 111.417 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -108.44 -42.75 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.513 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -115.37 96.11 44.82 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.658 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.58 -36.68 10.82 Favored 'Trans proline' 0 CA--C 1.526 0.12 0 C-N-CA 122.568 2.179 . . . . 0.0 110.889 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -87.94 30.3 0.86 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.389 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.06 -49.04 6.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.387 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -167.69 172.7 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.634 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -98.19 115.8 29.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.783 0.325 . . . . 0.0 110.428 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -72.73 -27.61 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.852 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.32 -19.41 60.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.046 0.45 . . . . 0.0 110.27 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -91.12 -6.86 53.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.896 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.0 mt -84.59 118.75 24.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.009 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.14 153.16 37.93 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.173 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -64.54 -20.79 66.03 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.518 2.145 . . . . 0.0 110.662 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.3 1.78 56.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.475 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -107.7 29.01 7.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.214 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -59.03 -38.97 80.52 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.774 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -34.86 77.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.001 0.429 . . . . 0.0 110.393 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -82.69 -34.1 27.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.399 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -57.59 -49.58 75.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.812 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -58.61 -54.24 49.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.076 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -40.14 93.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.512 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.51 -50.74 71.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.524 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.01 -50.15 73.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.222 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -58.93 -54.51 46.29 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -60.92 -38.1 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m -69.46 -42.68 74.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.217 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.41 -39.74 89.17 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.516 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -71.95 -21.18 61.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.082 0.467 . . . . 0.0 110.799 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -87.79 -48.44 7.83 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.0 mt -90.24 -45.12 9.28 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.23 -5.3 44.1 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 42.97 50.67 5.32 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.1 p -78.74 172.71 13.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.462 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.7 125.42 40.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.756 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -74.64 82.26 2.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.9 mt -86.68 -4.44 59.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.79 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.44 152.06 51.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.834 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -114.01 146.88 39.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.101 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.8 t -63.42 -51.96 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.67 -42.65 83.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.79 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.36 -46.9 78.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.664 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 58.1 mtp -62.08 -37.61 85.71 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.8 t -72.85 -37.15 53.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.274 0.559 . . . . 0.0 110.049 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -69.33 -46.45 67.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.582 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.36 -33.44 42.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.812 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 74.91 -51.52 0.67 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.347 0.659 . . . . 0.0 112.054 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.1 t -101.89 107.06 50.66 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.72 158.92 52.22 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.358 2.038 . . . . 0.0 111.773 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -84.83 130.03 34.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 m -55.49 -45.08 77.05 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -62.97 -36.22 82.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.85 0.357 . . . . 0.0 111.076 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.5 m -69.29 -43.16 74.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.95 0.405 . . . . 0.0 110.543 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.45 -37.25 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.56 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -53.33 -51.68 61.63 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.326 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 m -66.63 -34.62 78.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.516 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -63.2 -50.26 70.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 109.996 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.1 mm -65.46 -37.79 80.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.868 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -58.44 -47.44 83.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.455 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -69.67 -45.32 68.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.767 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.1 tp -56.93 -42.22 79.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -57.27 -42.67 82.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.717 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -59.7 -47.49 85.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.534 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -61.56 -41.86 98.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.24 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.8 mt -67.87 -25.81 65.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.476 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 42.6 t -73.73 -54.4 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.851 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -65.4 -25.6 67.62 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -82.53 -7.43 59.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.793 0.33 . . . . 0.0 110.972 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.49 48.93 33.87 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.8 mt -117.25 -30.57 5.57 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.56 -44.94 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 111.184 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -81.73 64.43 6.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.1 0.476 . . . . 0.0 110.654 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.28 -20.49 57.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.304 0.573 . . . . 0.0 109.946 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -134.93 118.54 17.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.384 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -112.17 115.44 28.85 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.987 -178.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.73 -37.8 74.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.828 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -62.03 -42.28 99.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.95 0.405 . . . . 0.0 110.017 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 67.6 mt -64.98 -46.01 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.024 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 60.6 mtp85 -60.71 -45.58 93.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -66.25 -39.99 89.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.02 -48.16 70.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.897 0.38 . . . . 0.0 111.231 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -73.51 -31.37 63.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.081 0.467 . . . . 0.0 110.529 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -65.99 -33.15 75.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.021 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.42 -35.68 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.954 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -72.62 -29.17 63.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.254 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -81.3 120.21 24.64 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -101.72 5.17 41.23 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.49 -12.78 3.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.87 55.71 4.78 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.609 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -107.81 -35.39 6.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.937 0.399 . . . . 0.0 110.549 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.72 -9.71 64.27 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.718 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -107.3 120.22 41.53 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.866 0.365 . . . . 0.0 110.655 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 21.1 pt -124.69 173.95 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.099 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 25.8 p -86.93 160.98 18.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.67 -30.44 71.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.62 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.38 -51.1 62.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.014 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.63 -45.59 86.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.615 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.76 -51.25 69.63 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.942 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -61.37 -31.93 71.84 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.065 0.46 . . . . 0.0 110.481 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -72.49 -37.28 68.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.631 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 48.0 t -62.5 -46.19 96.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.541 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 87.7 mtp -56.6 -42.81 79.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.428 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.03 -38.76 56.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.658 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -65.05 -23.45 67.18 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.652 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 31.9 mt -78.55 -10.65 59.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.673 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.38 15.15 74.75 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.233 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -64.44 127.21 30.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.684 0.278 . . . . 0.0 110.622 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -78.75 82.43 4.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 11.4 tp -134.61 127.98 32.28 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.613 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.18 153.45 37.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.781 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -39.48 79.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.78 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -62.5 -36.23 81.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.945 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -60.68 -48.32 82.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.068 0.461 . . . . 0.0 109.83 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 26.3 t -64.5 -43.88 96.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.125 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -41.94 95.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.482 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -63.29 -42.86 99.11 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.731 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 60.1 mtt -63.37 -38.31 90.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.948 0.404 . . . . 0.0 110.18 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.22 -35.85 73.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.167 0.508 . . . . 0.0 109.927 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -71.14 -17.06 62.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.533 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -95.68 -22.66 17.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.48 156.18 18.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.012 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -80.17 50.39 1.23 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.028 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 61.1 mt -83.18 -49.38 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.262 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -74.82 126.68 31.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.917 0.389 . . . . 0.0 110.734 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.91 -0.45 55.11 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -125.34 -174.39 3.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.558 -0.321 . . . . 0.0 110.472 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -104.46 -60.5 0.67 Allowed Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.085 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -129.01 155.79 44.83 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 t -127.59 146.86 32.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -78.86 135.73 37.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.167 0.508 . . . . 0.0 111.243 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -79.27 -9.76 59.65 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.19 -54.91 37.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.885 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -56.03 -40.64 73.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -65.04 -46.24 82.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.713 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.58 -42.37 93.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.249 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -64.95 -45.46 85.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.215 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 59.4 mtm -63.88 -39.96 95.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.985 0.422 . . . . 0.0 111.494 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 57.6 mtm -66.4 -33.11 74.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.8 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.3 p -83.06 -13.5 55.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.996 0.427 . . . . 0.0 111.483 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -82.64 -23.12 34.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.351 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.573 -0.727 . . . . 0.0 110.287 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.709 0 N-CA-C 111.901 -0.48 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.589 ' HB2' ' OH ' ' A' ' 98' ' ' TYR . 5.5 p -58.42 -44.56 89.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.184 0.516 . . . . 0.0 110.831 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -64.59 -25.03 67.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -70.97 -35.53 72.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.754 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.9 ttt -61.54 -50.65 71.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.807 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.8 mt -71.52 -29.31 64.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.933 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -59.99 -56.0 27.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.52 -34.94 79.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.7 t90 -60.12 -50.49 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.836 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 m -72.81 -36.12 67.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -63.74 -30.43 71.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.48 77.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.034 0.445 . . . . 0.0 110.211 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.4 mtt -82.67 -20.29 36.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.609 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -67.39 -23.96 65.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.318 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -76.38 -10.28 59.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.388 0.613 . . . . 0.0 110.458 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -106.96 15.47 25.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.232 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -138.45 164.57 29.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.45 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -127.54 158.57 37.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.844 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 68.76 7.12 5.94 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.442 0.639 . . . . 0.0 110.66 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.9 t -131.22 129.97 63.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.119 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' O ' ' HB3' ' A' ' 31' ' ' SER . 24.6 t0 -145.2 110.88 5.39 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.523 ' HA ' ' HB3' ' A' ' 31' ' ' SER . 56.0 mt -91.06 95.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.613 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -86.43 -38.14 17.63 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -151.92 159.23 43.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.619 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.423 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 87.0 m-85 -80.19 62.19 4.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.698 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -163.58 -86.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.275 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -59.49 -38.76 81.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.098 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.523 ' HB3' ' HA ' ' A' ' 25' ' ' ILE . 1.5 m -69.74 -10.09 57.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.423 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 64.7 m95 -105.75 3.82 29.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.876 0.369 . . . . 0.0 111.04 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.5 t -72.2 -18.61 61.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.801 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 p -75.2 -21.38 58.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.17 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.41 -41.7 2.52 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.304 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.9 mmm -52.54 -28.71 21.88 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.189 0.596 . . . . 0.0 112.085 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.01 74.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.546 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.407 ' O ' HG12 ' A' ' 42' ' ' ILE . 55.8 m-85 -66.1 -49.19 68.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.085 0.469 . . . . 0.0 110.401 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.2 m -63.18 -37.62 87.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.797 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.5 95.42 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.661 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.0 tp -66.17 -47.93 72.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.949 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 38' ' ' PHE . 49.1 mm -62.55 -41.35 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.984 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -64.45 -29.3 70.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.482 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.06 -34.86 77.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.688 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -89.98 -36.52 14.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.899 0.38 . . . . 0.0 111.269 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -120.3 91.72 46.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -67.64 -26.76 39.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.788 2.325 . . . . 0.0 111.768 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -89.26 8.01 32.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.965 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.643 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -73.97 -55.79 5.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.82 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -164.21 172.39 13.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.266 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -96.91 108.8 21.58 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -66.2 -31.52 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.043 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.7 -18.68 62.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.881 0.372 . . . . 0.0 111.261 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -91.7 -4.73 54.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.26 0.553 . . . . 0.0 110.482 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.68 134.19 33.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.194 0.521 . . . . 0.0 111.773 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -111.36 146.9 35.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.928 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.9 -19.63 64.13 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 122.237 1.958 . . . . 0.0 110.917 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.54 -9.95 58.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.502 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -95.85 26.88 3.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.07 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -55.33 -32.71 62.73 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -37.13 82.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.664 0.268 . . . . 0.0 110.783 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -95.08 -23.09 17.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.763 0.316 . . . . 0.0 110.85 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -56.57 -53.55 56.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.568 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.718 ' HB2' HG13 ' A' ' 83' ' ' VAL . 62.9 m-85 -60.78 -45.32 94.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 111.562 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -62.0 -42.18 98.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.772 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.7 tp -62.61 -47.11 85.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.544 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.43 -54.59 37.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.561 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -60.72 -54.18 48.35 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.5 m -59.13 -45.43 90.94 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.643 HG21 ' HB1' ' A' ' 49' ' ' ALA . 12.9 m -66.21 -39.71 89.83 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.231 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.91 -35.94 81.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.986 0.422 . . . . 0.0 110.509 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' HA ' ' H ' ' A' ' 77' ' ' CYS . 2.0 tm-20 -78.23 -25.6 47.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.198 0.523 . . . . 0.0 110.564 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -79.86 -37.88 33.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.142 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.1 mt -103.94 -18.48 14.59 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.07 11.58 3.91 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 42.72 45.19 4.04 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.448 ' H ' ' HA ' ' A' ' 72' ' ' GLU . 12.5 p -67.85 140.77 56.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.91 118.69 13.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.289 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -77.2 81.28 3.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.233 0.539 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.0 mt -85.96 -18.62 32.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.439 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 96' ' ' CYS . 83.9 mt -114.59 160.62 19.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.262 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -125.82 153.94 43.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.765 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.718 HG13 ' HB2' ' A' ' 64' ' ' PHE . 33.8 t -66.7 -52.68 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.398 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -59.27 -45.1 92.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.974 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.43 -50.39 74.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.785 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.3 mtp -63.34 -42.44 98.95 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.15 -42.87 85.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.994 0.426 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 88' ' ' ARG . 39.8 ttp-105 -64.51 -40.86 96.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.226 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.4 mt -83.06 -30.08 28.32 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.67 -51.83 0.7 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.269 0.628 . . . . 0.0 112.0 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.8 t -110.29 109.73 58.46 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -81.15 160.84 20.48 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.841 2.36 . . . . 0.0 112.093 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.561 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 10.1 t70 -77.57 140.07 39.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.14 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.2 m -61.53 -31.23 71.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.05 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -70.05 -38.53 75.85 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.961 0.41 . . . . 0.0 110.325 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.561 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 32.1 m -66.51 -44.68 81.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.115 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 101' ' ' ILE . 50.1 t -65.98 -44.3 92.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.271 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.589 ' OH ' ' HB2' ' A' ' 5' ' ' SER . 84.0 t80 -56.9 -49.94 74.05 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.8 m -61.79 -38.41 87.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.373 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -63.17 -48.92 76.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.942 0.401 . . . . 0.0 110.207 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 97' ' ' VAL . 44.5 mm -69.78 -32.19 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.311 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.623 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 24.7 tt0 -55.88 -61.96 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.042 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -34.3 77.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 49.6 tp -62.53 -49.04 76.91 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.547 ' O ' HG23 ' A' ' 109' ' ' VAL . 63.7 t80 -56.66 -50.47 72.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.259 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 63.7 mtp180 -57.17 -44.09 83.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.057 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.0 m -63.89 -36.37 83.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.226 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 76.4 mt -72.59 -38.88 67.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.342 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 105' ' ' TYR . 26.0 t -70.53 -42.32 78.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.555 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -66.84 -18.97 65.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.083 0.468 . . . . 0.0 111.696 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -99.68 8.36 44.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.092 0.473 . . . . 0.0 110.64 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.16 41.71 94.77 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.616 -0.72 . . . . 0.0 113.784 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 35.8 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.917 0.358 . . . . 0.0 111.928 179.483 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -64.05 -21.89 66.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.056 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 -60.03 -34.37 73.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.002 0.43 . . . . 0.0 110.294 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 48.9 mt -68.84 -42.33 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.755 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -65.62 -45.09 84.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.162 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.511 ' O ' HG23 ' B' ' 91' ' ' VAL . 67.2 mm-40 -62.27 -35.64 79.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.269 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.64 -40.4 83.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.963 0.411 . . . . 0.0 110.391 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.403 ' HE1' HD12 ' B' ' 105' ' ' LEU . 60.7 m-85 -81.42 -29.05 34.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.15 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -65.02 -25.6 67.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.824 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 87' ' ' GLU . 94.0 t -68.53 -38.15 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -77.09 -44.75 29.42 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.804 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -76.95 94.72 3.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -80.21 15.56 1.51 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -133.5 -27.43 1.54 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.833 0.349 . . . . 0.0 111.355 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.05 52.61 4.0 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -107.15 -33.72 7.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.665 0.269 . . . . 0.0 111.644 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' GLY . . . . . 0.606 ' HA2' ' CZ ' ' B' ' 138' ' ' TYR . . . 103.92 6.64 42.75 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.501 -0.856 . . . . 0.0 113.658 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 99' ' ' TYR . . . . . 0.631 ' HB3' ' HB3' ' B' ' 135' ' ' GLN . 98.9 m-85 -124.49 129.31 50.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.843 0.321 . . . . 0.0 111.163 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.49 HG12 ' HD2' ' B' ' 138' ' ' TYR . 18.8 pt -138.36 -171.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 5.1 p -92.97 159.94 15.1 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.06 -27.65 65.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.982 0.42 . . . . 0.0 110.426 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.51 -46.29 60.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.302 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.573 ' O ' HG23 ' B' ' 108' ' ' VAL . 0.8 OUTLIER -67.75 -34.78 77.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.261 179.663 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.403 HD12 ' HE1' ' B' ' 89' ' ' PHE . 12.4 tp -58.28 -49.23 77.87 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.68 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -61.03 -35.62 77.38 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.741 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -66.44 -34.52 78.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.264 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 104' ' ' GLU . 24.0 t -72.63 -41.81 62.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.964 0.412 . . . . 0.0 110.033 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.81 -41.23 90.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.072 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 3.2 p -78.14 -20.37 52.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.018 0.437 . . . . 0.0 110.939 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -76.35 -33.09 58.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.307 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.28 -14.76 63.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.347 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.67 31.22 54.68 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.084 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.59 152.94 37.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.752 0.31 . . . . 0.0 111.319 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -94.08 30.48 1.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -106.21 143.23 34.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.9 0.381 . . . . 0.0 110.828 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' THR . . . . . 0.458 ' O ' HG23 ' B' ' 121' ' ' VAL . 17.3 p -81.74 163.68 22.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.278 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.56 -36.87 72.22 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.183 0.516 . . . . 0.0 110.004 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' B' ' 123' ' ' GLU . 2.5 mp0 -57.62 -48.95 78.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.396 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -63.11 -36.8 84.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 117' ' ' THR . 61.6 t -61.73 -46.8 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.427 ' HA ' ' HB ' ' B' ' 125' ' ' ILE . 2.2 m-20 -66.93 -31.53 72.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.043 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 123' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' B' ' 119' ' ' GLU . 72.2 mm-40 -61.3 -49.13 78.25 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 66.6 mtt -67.91 -38.49 83.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.048 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.883 HG23 HG13 ' B' ' 130' ' ' ILE . 8.7 mt -61.65 -40.69 87.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.83 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' B' ' 126' ' ' ARG . 5.3 mtm105 -69.5 -15.26 63.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.383 . . . . 0.0 111.217 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -104.72 18.48 22.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.245 0.545 . . . . 0.0 109.899 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -136.15 179.12 6.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.977 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -93.31 115.86 28.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.883 HG13 HG23 ' B' ' 125' ' ' ILE . 34.6 mm -125.7 -70.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.379 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -87.74 63.51 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.379 0.609 . . . . 0.0 110.717 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -138.1 -68.83 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.85 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -103.49 -27.61 12.27 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.58 -23.41 28.28 Favored Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.54 -0.838 . . . . 0.0 114.953 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 135' ' ' GLN . . . . . 0.631 ' HB3' ' HB3' ' B' ' 99' ' ' TYR . 26.3 mm-40 -112.32 112.69 24.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.509 0.654 . . . . 0.0 111.283 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 39.4 t -94.1 124.6 46.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.083 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 137' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 0.2 OUTLIER -75.02 115.47 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.677 178.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 138' ' ' TYR . . . . . 0.606 ' CZ ' ' HA2' ' B' ' 98' ' ' GLY . 8.5 p90 -73.54 -19.89 60.79 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.95 -38.7 73.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.161 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -62.1 -40.48 96.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.241 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -71.6 -38.75 70.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.21 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 142' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 138' ' ' TYR . 97.7 t -60.4 -50.61 79.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.183 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -59.82 -46.08 90.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.924 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 37.1 ttm -59.41 -43.87 92.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.994 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 45.5 mtm -65.46 -38.24 89.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.801 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 38.2 p -74.73 -12.96 60.54 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.47 -24.1 18.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.134 0.492 . . . . 0.0 110.153 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.69 -0.671 . . . . 0.0 109.446 179.581 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.751 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -48.04 79.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.034 0.445 . . . . 0.0 110.654 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.649 ' HE3' ' HB2' ' B' ' 95' ' ' ASP . 57.2 mttt -65.67 -26.5 67.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.602 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.34 -32.6 74.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.573 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -60.01 -52.15 66.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.21 -40.7 86.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.49 -50.13 73.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.173 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.55 -45.2 95.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.002 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -63.11 -48.42 78.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t -65.24 -50.82 64.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.453 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -56.07 -32.18 63.86 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 -30.96 72.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.001 0.429 . . . . 0.0 110.817 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.9 mtm -93.37 -40.78 10.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.808 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -65.19 -23.38 67.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.095 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 ttm-85 -64.26 -20.44 66.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.076 0.465 . . . . 0.0 110.832 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -78.92 -19.48 51.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.892 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -94.05 103.71 15.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.664 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -62.42 148.37 45.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.195 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 76.82 -6.23 2.05 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.686 0.616 . . . . 0.0 111.452 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.57 78.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.048 0.451 . . . . 0.0 111.381 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.56 121.32 41.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.014 0.435 . . . . 0.0 110.48 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.6 mt -95.92 111.28 25.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.316 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -91.86 -50.01 5.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.349 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -153.46 169.94 21.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.473 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.413 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 80.4 m-85 -80.51 63.34 4.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.925 0.393 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 p -161.95 -87.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.737 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -62.03 -41.51 98.17 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -16.43 61.98 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 72.9 m95 -106.23 0.37 25.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.017 0.437 . . . . 0.0 110.781 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t -77.59 -13.88 59.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.592 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -17.11 45.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.281 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.9 -41.65 2.21 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 121.313 -0.47 . . . . 0.0 113.335 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.446 ' HB3' ' OH ' ' A' ' 52' ' ' TYR . 81.1 mmm -53.05 -25.77 13.72 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.31 93.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.702 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.418 ' O ' HG12 ' A' ' 42' ' ' ILE . 71.0 m-85 -65.55 -47.88 74.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.748 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.516 ' HB2' ' HE1' ' A' ' 52' ' ' TYR . 1.5 m -60.44 -36.62 78.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.582 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.55 -44.09 95.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.84 -41.8 91.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.989 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 38' ' ' PHE . 48.9 mm -62.82 -46.87 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -66.55 -27.83 68.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.266 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 44' ' ' LYS . 13.2 tptt -60.97 -39.86 91.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -94.3 -34.97 12.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.65 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -116.75 100.85 53.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 111.384 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -69.37 -27.14 28.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 111.639 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -86.82 3.26 45.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.546 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -61.5 -65.05 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -170.99 171.42 5.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.317 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.462 ' HB2' ' HB2' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -87.12 118.33 26.44 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.255 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' HE1' ' HB2' ' A' ' 39' ' ' CYS . 31.8 t80 -76.41 -35.71 58.44 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.39 -19.67 62.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.926 0.393 . . . . 0.0 111.576 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 63.7 mm-40 -90.38 0.72 57.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.534 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.7 mt -87.55 156.05 19.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.647 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 25.7 m-20 -128.21 136.19 28.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.255 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 56' ' ' ASP . 32.4 Cg_exo -64.35 -24.1 64.92 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.82 2.347 . . . . 0.0 111.198 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.04 -15.1 61.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.625 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.647 ' HD2' ' HB2' ' A' ' 56' ' ' ASP . 79.1 mttt -105.71 46.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.423 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HA ' ' HB2' ' A' ' 63' ' ' ASN . 20.2 mtm180 -59.73 -36.93 77.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.429 ' HG2' HG21 ' A' ' 87' ' ' VAL . 45.7 mtm105 -61.17 -47.98 83.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.132 0.491 . . . . 0.0 110.463 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -71.67 -30.6 65.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.151 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.423 ' HB2' ' HA ' ' A' ' 60' ' ' ARG . 1.1 m-20 -61.48 -52.69 63.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.33 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.505 ' HB2' HG13 ' A' ' 83' ' ' VAL . 25.4 m-85 -59.48 -45.26 92.17 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.437 ' OG1' HG11 ' A' ' 83' ' ' VAL . 40.8 m -58.53 -49.36 77.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.787 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.6 -46.05 91.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.446 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.91 75.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.391 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.547 ' HD2' HG22 ' A' ' 83' ' ' VAL . 15.5 m-85 -64.97 -47.58 77.09 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.7 p -59.89 -44.89 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 111.384 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.546 HG21 ' HB1' ' A' ' 49' ' ' ALA . 24.7 m -65.42 -40.99 94.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.782 0.325 . . . . 0.0 111.041 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.19 97.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.173 0.511 . . . . 0.0 110.208 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 76' ' ' ASP . 35.5 tt0 -70.66 -32.89 70.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.928 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -80.31 -39.29 28.99 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.5 mt -96.26 -30.55 13.39 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -177.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.21 -2.74 10.09 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER 56.12 42.06 28.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.989 0.423 . . . . 0.0 111.839 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 60.1 m -67.31 139.71 57.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.455 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.39 148.2 48.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.818 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -79.89 88.08 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.622 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.2 mt -98.54 -10.5 23.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.327 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' A' ' 96' ' ' CYS . 40.0 mt -139.52 145.06 38.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.32 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.573 ' HB2' ' CB ' ' A' ' 85' ' ' ASP . 19.1 mt-10 -100.4 141.47 33.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.151 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.547 HG22 ' HD2' ' A' ' 68' ' ' PHE . 63.3 t -62.12 -55.96 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.025 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.14 -35.23 79.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.345 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.573 ' CB ' ' HB2' ' A' ' 82' ' ' GLU . 32.9 t70 -65.23 -42.6 93.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.901 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 31.1 mtp -63.41 -37.51 87.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.429 HG21 ' HG2' ' A' ' 61' ' ' ARG . 41.8 t -70.01 -38.75 76.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.05 0.453 . . . . 0.0 110.112 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -67.26 -52.86 35.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.46 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.84 -30.94 71.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.272 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.07 -64.7 0.38 Allowed 'General case' 0 N--CA 1.465 0.299 0 O-C-N 124.009 0.818 . . . . 0.0 110.57 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.0 t -95.34 115.34 65.36 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.28 161.08 46.91 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.424 2.083 . . . . 0.0 112.431 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.44 139.27 31.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.112 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -58.24 -39.8 80.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.976 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -64.18 -46.77 82.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.721 0.296 . . . . 0.0 111.582 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.46 ' HB3' HD21 ' A' ' 81' ' ' LEU . 43.5 m -59.2 -41.49 88.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.397 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 101' ' ' ILE . 57.8 t -71.77 -42.9 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.099 0.476 . . . . 0.0 110.149 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -58.58 -53.21 60.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.849 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.1 t -65.02 -23.86 67.33 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -72.69 -50.57 23.99 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.962 0.411 . . . . 0.0 110.028 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 97' ' ' VAL . 24.1 mm -72.63 -27.74 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.39 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.804 ' HG2' ' HG3' ' B' ' 135' ' ' GLN . 13.5 tt0 -52.69 -62.51 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.492 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.477 ' OE2' ' HD2' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -74.12 -22.74 59.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.506 -179.39 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 54.7 tp -63.41 -38.47 91.28 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.472 ' HA ' HD12 ' A' ' 108' ' ' LEU . 6.7 t80 -61.49 -30.97 70.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.293 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.603 ' HG3' ' HA3' ' B' ' 134' ' ' GLY . 15.2 ttt180 -68.72 -21.21 64.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.486 0.66 . . . . 0.0 110.063 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 m -94.4 -0.74 54.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.312 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 105' ' ' TYR . 43.1 mt -107.49 -40.93 5.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.021 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.56 -43.29 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.419 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -59.9 -31.26 69.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.198 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.693 ' HB2' ' HG ' ' A' ' 113' ' ' LEU . 57.6 mmtt -80.71 -7.67 59.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.95 0.405 . . . . 0.0 110.892 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.56 22.47 77.89 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.618 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.693 ' HG ' ' HB2' ' A' ' 111' ' ' LYS . 88.7 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.017 0.437 . . . . 0.0 110.363 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.633 ' OE2' ' HD2' ' B' ' 86' ' ' ARG . 19.9 tt0 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.915 0.388 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 44.0 mp0 -54.06 -47.22 71.9 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.013 0.525 . . . . 0.0 112.193 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -61.67 -41.16 97.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.805 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.33 -45.87 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.399 . . . . 0.0 109.983 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.633 ' HD2' ' OE2' ' B' ' 82' ' ' GLU . 46.6 mtp85 -63.87 -40.74 97.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.825 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.472 ' O ' HG23 ' B' ' 91' ' ' VAL . 0.9 OUTLIER -66.19 -38.34 87.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.726 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.68 90.61 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.503 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -67.49 -33.15 74.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.18 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -69.35 -22.79 63.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.187 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 87' ' ' GLU . 60.4 t -66.56 -35.4 74.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.26 0.552 . . . . 0.0 109.761 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -79.41 -13.9 59.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -83.56 139.0 33.13 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -113.0 19.8 16.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.933 0.397 . . . . 0.0 111.167 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' ASP . . . . . 0.649 ' HB2' ' HE3' ' A' ' 6' ' ' LYS . 23.3 t70 -148.32 -44.68 0.15 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.315 0.579 . . . . 0.0 110.959 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.3 57.81 0.63 Allowed Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -120.52 -27.47 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.786 0.327 . . . . 0.0 111.008 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.0 24.69 43.71 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.197 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -122.54 121.26 36.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.645 0.26 . . . . 0.0 110.646 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 19.1 pt -137.56 -174.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.602 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 57.5 p -112.69 179.6 3.93 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.584 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' ALA . . . . . 0.696 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -64.53 -25.08 67.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.49 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.66 -50.75 68.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.57 ' O ' HG23 ' B' ' 108' ' ' VAL . 25.4 mp0 -71.07 -42.35 69.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.287 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 29.4 tp -54.26 -51.11 65.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.046 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.638 ' HG3' HG11 ' B' ' 121' ' ' VAL . 11.6 ttt180 -62.61 -28.17 69.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -80.45 -37.38 32.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.565 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 104' ' ' GLU . 64.9 t -64.28 -43.82 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 110.255 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 51.3 mtt -56.9 -41.44 78.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.38 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.61 -34.55 58.37 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.417 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -67.19 -23.96 65.81 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.847 0.356 . . . . 0.0 111.245 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 82.2 mt -77.58 -9.0 58.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.127 0.489 . . . . 0.0 110.37 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.87 22.0 64.74 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.468 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -76.99 133.32 39.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 110.598 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -88.96 58.15 4.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.062 0.458 . . . . 0.0 110.727 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.404 ' HG ' ' HB2' ' B' ' 120' ' ' GLU . 12.2 tp -101.56 121.78 42.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.664 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.87 151.37 34.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.157 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.84 -35.72 64.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.915 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 26.3 mm-40 -61.23 -44.49 97.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.099 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.404 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 19.0 mm-40 -61.22 -43.44 98.87 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.19 0.519 . . . . 0.0 110.347 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.638 HG11 ' HG3' ' B' ' 106' ' ' ARG . 47.4 t -63.67 -44.78 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.037 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.57 -36.63 84.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.016 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 64.4 mt-10 -64.41 -39.25 93.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 124' ' ' MET . . . . . 0.475 ' HB3' ' HE1' ' B' ' 141' ' ' PHE . 59.7 mtt -64.77 -34.49 78.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.041 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.481 ' HA ' HD12 ' B' ' 130' ' ' ILE . 89.3 mt -66.11 -28.49 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 121.268 0.556 . . . . 0.0 109.967 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -80.36 -32.64 37.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.641 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.85 -35.95 79.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.584 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.27 173.43 6.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.554 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -99.71 81.72 2.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.4 0.619 . . . . 0.0 110.471 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.696 HG21 ' HB2' ' B' ' 102' ' ' ALA . 57.4 mt -105.83 -79.68 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.059 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.2 129.48 40.02 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.96 0.41 . . . . 0.0 111.098 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.1 -5.6 78.6 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.572 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 133' ' ' ASP . . . . . 0.403 ' HB3' ' H ' ' B' ' 134' ' ' GLY . 0.4 OUTLIER -113.6 -89.9 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.27 -0.172 . . . . 0.0 111.208 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 134' ' ' GLY . . . . . 0.603 ' HA3' ' HG3' ' A' ' 106' ' ' ARG . . . -177.54 -114.92 0.42 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.11 -1.043 . . . . 0.0 113.943 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 135' ' ' GLN . . . . . 0.804 ' HG3' ' HG2' ' A' ' 102' ' ' GLN . 64.3 mm-40 -79.95 157.29 26.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 111.991 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 6.5 t -125.35 129.48 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.542 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -93.69 119.53 32.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.099 0.476 . . . . 0.0 110.357 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -60.34 -24.3 64.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -57.57 -38.52 74.95 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -62.86 -38.53 91.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.943 0.402 . . . . 0.0 111.052 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 141' ' ' PHE . . . . . 0.475 ' HE1' ' HB3' ' B' ' 124' ' ' MET . 62.0 m-85 -75.42 -36.94 60.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.957 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.25 -48.53 88.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.977 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -64.46 -40.01 94.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 43.2 ttm -65.92 -41.82 90.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.05 0.452 . . . . 0.0 110.789 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 66.6 mtm -65.89 -29.34 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.908 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 2.9 p -89.48 -3.43 58.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.145 0.498 . . . . 0.0 111.308 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -108.97 10.85 26.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.219 0.533 . . . . 0.0 110.409 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.169 179.694 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -65.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.807 0.337 . . . . 0.0 111.457 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -65.99 -9.53 31.07 Favored 'General case' 0 C--O 1.227 -0.086 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -60.15 -35.72 75.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 0.0 110.207 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.3 ttt -68.28 -45.91 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.248 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.4 mt -68.82 -34.96 76.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.962 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.34 -49.02 77.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.917 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.9 -42.21 98.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.891 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -58.73 -56.17 25.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.803 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.4 p -65.74 -34.63 78.63 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -64.7 -43.37 93.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.121 179.442 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.33 -35.7 68.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.953 0.406 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 54.0 tpp -67.02 -50.75 61.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.011 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -86.34 8.86 19.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.544 -179.379 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 31.5 ttt180 -68.42 -24.36 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.088 0.47 . . . . 0.0 110.532 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -91.0 7.56 39.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.364 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.54 ' HB2' HG22 ' A' ' 17' ' ' THR . 37.9 m-85 -110.79 122.42 47.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.394 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.79 154.49 25.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.357 -179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.3 t60 71.28 6.97 5.97 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.245 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.0 t -126.46 118.36 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.096 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -134.0 114.6 13.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.371 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.2 mt -93.47 93.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.145 0.497 . . . . 0.0 110.929 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -87.87 -36.46 17.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.392 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -164.23 160.61 21.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.752 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.48 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 71.2 m-85 -80.55 64.28 5.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.949 0.404 . . . . 0.0 111.983 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 p -158.06 -80.2 0.07 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.4 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -41.15 92.87 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 m -67.09 -14.66 63.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.889 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.48 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 58.7 m95 -108.68 5.12 24.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.775 0.321 . . . . 0.0 111.325 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -31.9 63.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.897 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -32.07 57.94 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.911 179.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.95 -20.31 33.32 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.563 -0.744 . . . . 0.0 113.091 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.8 mtp -60.82 -30.32 70.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.732 0.301 . . . . 0.0 111.7 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.95 74.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.424 ' O ' HG12 ' A' ' 42' ' ' ILE . 1.0 OUTLIER -64.38 -51.12 64.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.949 0.404 . . . . 0.0 110.369 179.666 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.22 -37.81 86.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.573 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.07 -45.59 92.84 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.037 0.446 . . . . 0.0 110.736 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.5 tp -66.75 -44.75 80.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 38' ' ' PHE . 43.5 mm -63.27 -42.81 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.967 0.413 . . . . 0.0 111.02 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -67.58 -23.49 65.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.478 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG2' ' OH ' ' A' ' 20' ' ' TYR . 4.3 tmtm? -63.34 -38.71 92.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.998 0.428 . . . . 0.0 110.068 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -94.31 -36.25 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.343 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.44 ' HZ ' ' HB2' ' A' ' 75' ' ' ALA . 59.7 m-85 -111.55 97.69 37.63 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 120.843 0.354 . . . . 0.0 110.809 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -70.45 -33.99 13.05 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.897 2.398 . . . . 0.0 112.05 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -86.29 12.55 9.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.006 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.37 -61.93 1.74 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.817 0.341 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -167.45 156.94 10.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.251 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -87.41 123.84 32.78 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -67.44 -23.82 65.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.755 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.18 -13.39 59.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.883 0.373 . . . . 0.0 110.99 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -98.91 9.31 43.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.472 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.0 mt -111.29 121.54 45.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.152 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.14 148.01 37.45 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.259 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.28 -20.25 70.15 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.939 2.426 . . . . 0.0 112.203 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.33 -12.43 60.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -109.95 40.93 1.81 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.155 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -56.5 -32.18 64.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.057 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -66.07 -52.64 47.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.42 ' HA ' ' OG1' ' A' ' 65' ' ' THR . 4.2 m-70 -71.84 -22.01 61.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.062 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -64.15 -49.94 70.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.168 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.653 ' HB2' HG13 ' A' ' 83' ' ' VAL . 27.3 m-85 -64.23 -43.82 93.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.607 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.539 HG23 HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -61.62 -48.17 82.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.675 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.6 tp -58.53 -46.48 86.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.347 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.13 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.959 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -60.23 -44.89 94.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 4.8 t -60.85 -36.63 79.62 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.8 m -79.48 -36.85 38.05 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 120.94 0.4 . . . . 0.0 110.734 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.429 ' C ' ' H ' ' A' ' 73' ' ' LYS . . . -63.69 -50.45 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.509 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 1.1 mp0 -78.97 25.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.326 0.584 . . . . 0.0 110.746 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 69' ' ' SER . 19.6 tttp -127.05 -53.28 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.577 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.3 mt -87.61 -20.23 26.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.869 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' HB2' ' HZ ' ' A' ' 46' ' ' PHE . . . -123.42 -36.26 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.509 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER 69.98 75.42 0.22 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.535 0.522 . . . . 0.0 110.799 -179.545 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.3 m -95.52 -168.51 1.79 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.798 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.66 125.0 48.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.469 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.92 73.58 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.664 0.745 . . . . 0.0 111.641 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.587 HD13 ' HB ' ' A' ' 99' ' ' THR . 18.0 mt -85.3 -4.22 59.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.469 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.9 mt -140.1 135.15 32.26 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.469 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 85' ' ' ASP . 23.5 mt-10 -95.83 144.35 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.653 HG13 ' HB2' ' A' ' 64' ' ' PHE . 89.1 t -61.08 -49.58 84.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.077 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.03 -42.47 97.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.541 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.561 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 2.5 t70 -59.58 -51.31 70.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.023 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 74.6 mtp -60.83 -40.84 94.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.035 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.65 -39.84 69.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.906 0.384 . . . . 0.0 110.506 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -65.51 -48.58 72.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.85 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.4 mt -79.01 -23.69 44.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.675 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.06 -54.63 0.69 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.409 0.683 . . . . 0.0 112.091 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.09 112.98 64.03 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -77.22 -176.96 3.48 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.512 2.142 . . . . 0.0 111.741 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.508 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 28.5 t0 -104.26 127.42 51.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.688 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.4 t -56.58 -29.14 61.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.544 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -64.41 -35.81 82.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 4.0 m -77.78 -38.99 45.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.95 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.525 ' O ' HG12 ' A' ' 101' ' ' ILE . 23.8 t -62.55 -41.52 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -55.93 -43.53 77.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.055 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.587 ' HB ' HD13 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -62.96 -44.17 96.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.67 -179.733 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -63.37 -41.95 98.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.575 0.226 . . . . 0.0 111.345 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' ' 97' ' ' VAL . 46.4 mm -64.77 -38.14 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.033 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.438 ' HG2' ' N ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -63.7 -43.0 97.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.521 179.43 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.438 ' N ' ' HG2' ' A' ' 102' ' ' GLN . 55.6 mm-40 -64.93 -44.78 88.37 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.09 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 47.5 tp -62.81 -43.88 97.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.693 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.441 ' HA ' HD12 ' A' ' 108' ' ' LEU . 64.9 t80 -56.46 -41.27 76.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.006 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.555 ' HA ' ' O ' ' B' ' 133' ' ' ASP . 21.9 mtt180 -58.42 -45.56 88.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.032 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.0 m -65.55 -30.8 71.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.23 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 47.8 mt -71.1 -37.65 72.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.981 0.42 . . . . 0.0 110.811 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.62 -51.6 49.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.401 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.409 ' HB3' ' O ' ' B' ' 132' ' ' GLY . 6.7 pt20 -61.79 -36.45 81.13 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -71.49 -32.43 68.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.993 0.425 . . . . 0.0 110.221 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.79 16.18 43.03 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.446 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--N 1.332 -0.183 0 CA-C-O 121.117 0.484 . . . . 0.0 111.093 -179.688 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.558 ' HG2' HG21 ' B' ' 146' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.251 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.439 ' HA ' ' OE1' ' B' ' 83' ' ' GLU . 6.5 mm-40 -62.42 -27.38 69.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.876 0.37 . . . . 0.0 111.364 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' GLU . . . . . 0.476 ' H ' ' CD ' ' B' ' 84' ' ' GLU . 25.2 mp0 -65.95 -42.29 90.15 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 28.7 mt -67.4 -40.76 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.41 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -63.23 -39.95 96.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.973 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.433 ' O ' HG23 ' B' ' 91' ' ' VAL . 1.2 mm-40 -64.54 -44.56 90.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.703 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.51 -42.48 87.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.021 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -67.77 -35.68 79.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.092 0.472 . . . . 0.0 110.553 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -22.08 66.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.438 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 87' ' ' GLU . 83.4 t -65.3 -33.84 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.41 0.624 . . . . 0.0 109.497 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -85.58 -39.07 17.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.34 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -80.3 84.99 5.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -90.31 28.29 1.48 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.161 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.78 -37.21 2.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.93 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.59 42.96 5.31 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.909 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.16 -12.78 11.18 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.706 -0.291 . . . . 0.0 111.527 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' GLY . . . . . 0.568 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 87.44 -1.47 85.95 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.211 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -105.11 124.85 50.23 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 28.9 pt -135.77 173.1 14.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.519 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' SER . . . . . 0.723 ' HB2' ' HG2' ' B' ' 104' ' ' GLU . 1.4 m -81.27 151.45 28.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 102' ' ' ALA . . . . . 0.533 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -65.36 -40.84 94.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.393 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.38 89.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.547 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.723 ' HG2' ' HB2' ' B' ' 101' ' ' SER . 17.4 mm-40 -69.14 -40.16 78.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.23 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 4.3 tp -56.43 -47.03 79.91 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.868 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.632 ' HD3' HD11 ' B' ' 125' ' ' ILE . 37.8 mtm180 -62.46 -34.31 76.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.042 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -67.05 -35.12 79.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.877 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 104' ' ' GLU . 39.6 t -68.81 -46.59 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.433 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 49.3 mtt -57.33 -44.12 83.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.951 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.51 -36.65 68.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.238 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -64.99 -40.6 95.21 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.18 -29.47 67.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.295 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.14 22.61 12.72 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.254 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -62.39 139.43 58.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.664 0.269 . . . . 0.0 110.451 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' B' ' 115' ' ' LYS . 17.7 mtpt -79.0 -2.77 41.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.679 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.573 HD23 HG22 ' B' ' 121' ' ' VAL . 8.1 tp -61.66 124.4 20.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.17 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' THR . . . . . 0.442 ' O ' HG23 ' B' ' 121' ' ' VAL . 7.4 p -79.34 161.38 26.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.196 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.37 -38.76 66.49 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -62.2 -44.05 97.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.86 0.362 . . . . 0.0 110.534 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.425 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 46.6 mt-10 -65.99 -40.5 91.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.241 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.573 HG22 HD23 ' B' ' 116' ' ' LEU . 62.5 t -66.05 -46.51 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.058 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.488 ' HA ' HD12 ' B' ' 125' ' ' ILE . 4.1 t70 -59.58 -39.72 85.02 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.267 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' GLU . . . . . 0.615 ' HA ' ' HD2' ' B' ' 126' ' ' ARG . 19.8 mt-10 -62.68 -33.86 75.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.863 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 55.6 mtt -70.18 -35.99 74.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.106 0.479 . . . . 0.0 110.004 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.702 HG23 HD12 ' B' ' 130' ' ' ILE . 80.1 mt -64.86 -33.67 65.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.615 ' HD2' ' HA ' ' B' ' 123' ' ' GLU . 29.9 mtt180 -76.48 -11.75 59.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.967 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -89.62 -30.15 18.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.585 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -100.42 160.15 14.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.242 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -82.51 88.52 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.388 0.614 . . . . 0.0 110.781 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.954 HG12 HG11 ' B' ' 136' ' ' VAL . 10.9 mt -121.67 -62.84 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.222 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.17 121.94 15.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.483 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 132' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 110' ' ' GLN . . . 96.41 -7.41 66.19 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.721 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 133' ' ' ASP . . . . . 0.555 ' O ' ' HA ' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -114.87 -79.65 0.59 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.687 0.28 . . . . 0.0 111.157 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 161.44 -135.58 4.01 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.514 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -66.63 151.21 47.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.872 0.367 . . . . 0.0 111.163 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 136' ' ' VAL . . . . . 0.954 HG11 HG12 ' B' ' 130' ' ' ILE . 7.1 m -126.92 159.21 37.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.72 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 137' ' ' ASN . . . . . 0.568 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 10.3 p30 -88.28 126.26 35.08 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.059 0.456 . . . . 0.0 110.379 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 138' ' ' TYR . . . . . 0.52 ' CZ ' ' HA2' ' B' ' 98' ' ' GLY . 8.4 p90 -69.37 -15.88 63.4 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -58.91 -40.81 85.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.375 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 140' ' ' GLU . . . . . 0.402 ' HG2' ' OD1' ' B' ' 137' ' ' ASN . 64.9 mm-40 -63.58 -41.42 98.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.13 0.49 . . . . 0.0 110.623 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 141' ' ' PHE . . . . . 0.412 ' HD2' ' HA ' ' B' ' 138' ' ' TYR . 99.8 m-85 -67.09 -38.45 85.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.099 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 142' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 138' ' ' TYR . 85.8 t -61.41 -48.0 90.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -55.79 -48.43 75.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 53.0 ttp -63.05 -39.73 95.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.689 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 60.4 mtm -63.5 -41.39 98.54 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 146' ' ' THR . . . . . 0.558 HG21 ' HG2' ' B' ' 82' ' ' GLU . 1.2 p -77.79 -33.56 52.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.744 0.306 . . . . 0.0 111.509 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.51 -50.33 52.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.776 -179.696 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.607 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 p -55.12 -60.14 3.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.914 0.388 . . . . 0.0 112.017 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.596 ' HD2' ' HB2' ' B' ' 95' ' ' ASP . 74.3 tttt -59.84 -37.2 78.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.453 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -66.72 -48.99 67.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 ttp -61.11 -42.49 98.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.74 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.3 mt -63.42 -41.24 98.71 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.99 -45.9 90.23 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.168 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.43 -45.48 90.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.309 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -59.47 -48.0 83.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.275 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.4 m -61.06 -54.48 44.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.944 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -56.24 -38.75 71.52 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.138 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.45 -34.45 68.99 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 ptp -109.06 10.36 26.12 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m -120.76 -14.07 8.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.229 0.537 . . . . 0.0 110.544 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.6 ptm85 -65.88 -18.05 65.07 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.17 0.51 . . . . 0.0 110.983 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -78.71 -16.17 57.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.297 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -89.4 111.47 22.34 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 13.2 pt-20 -60.03 145.88 44.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.823 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.5 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 22.1 t-80 79.45 -15.62 0.74 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.437 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -103.52 104.7 17.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.29 0.567 . . . . 0.0 111.981 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -120.44 103.39 9.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.698 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.5 mt -83.38 100.05 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.054 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -110.68 -10.98 14.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.997 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -149.66 -178.75 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.009 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.418 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 13.2 m-85 -113.33 36.03 3.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.955 0.407 . . . . 0.0 110.192 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 p -149.7 -76.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.733 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.28 -40.64 71.27 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -8.63 55.62 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.465 ' HB2' ' HG2' ' A' ' 92' ' ' PRO . 33.7 m95 -110.33 4.53 20.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.635 0.255 . . . . 0.0 111.071 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.7 m -67.2 -26.52 66.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.06 0.457 . . . . 0.0 111.425 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.508 ' HB2' ' HG2' ' A' ' 36' ' ' MET . 15.4 p -83.47 -25.81 30.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.102 0.477 . . . . 0.0 110.143 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.36 -4.33 68.37 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.816 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.508 ' HG2' ' HB2' ' A' ' 34' ' ' SER . 81.6 mmm -68.05 -24.04 65.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.378 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.05 -31.46 62.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 42' ' ' ILE . 42.0 m-85 -67.05 -52.56 40.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 36' ' ' MET . 1.7 p -66.77 -31.53 72.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.48 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.2 87.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.466 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 tp -63.36 -43.01 98.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 38' ' ' PHE . 50.2 mm -64.71 -42.2 94.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.92 0.391 . . . . 0.0 110.322 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -64.1 -32.31 73.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.78 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -68.36 -34.75 76.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.283 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -79.91 -48.15 13.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -123.59 105.42 33.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.008 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.52 -14.07 18.1 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.613 2.209 . . . . 0.0 112.34 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -94.19 13.12 24.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.427 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.621 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -82.63 -72.49 0.44 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.131 0.491 . . . . 0.0 110.521 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -151.51 156.93 41.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.65 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -83.59 128.83 34.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.988 0.423 . . . . 0.0 110.726 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.614 ' HA ' HD12 ' A' ' 55' ' ' LEU . 60.1 t80 -81.64 -22.82 37.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.652 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.08 -23.2 63.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 0.0 111.137 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.18 7.61 43.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.215 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 52' ' ' TYR . 20.6 mt -84.77 98.18 10.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.318 0.58 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.468 ' HB3' ' HD2' ' A' ' 59' ' ' LYS . 15.2 t70 -86.0 133.98 40.01 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.481 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.533 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 49.1 Cg_exo -58.21 -21.88 54.11 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.404 2.736 . . . . 0.0 114.091 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.19 -10.85 59.67 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.95 -0.469 . . . . 0.0 110.772 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HD2' ' HB3' ' A' ' 56' ' ' ASP . 29.5 mttm -98.61 28.58 4.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.26 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 57' ' ' PRO . 45.7 mtm180 -47.29 -46.07 24.64 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -58.86 -49.17 78.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -38.56 82.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.197 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -60.08 -52.29 65.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.3 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.426 ' HB3' HG13 ' A' ' 83' ' ' VAL . 11.9 m-85 -56.96 -44.08 82.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.429 . . . . 0.0 110.516 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.506 ' OG1' HG11 ' A' ' 83' ' ' VAL . 6.5 m -63.0 -50.94 68.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.63 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.87 -42.21 84.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.688 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.2 -49.9 75.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.741 0.305 . . . . 0.0 111.439 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -70.52 -48.06 57.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.619 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.5 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 68.1 m -54.82 -42.78 72.28 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.621 HG21 ' HB1' ' A' ' 49' ' ' ALA . 48.9 m -61.17 -41.87 97.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.96 0.41 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.4 92.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.544 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.767 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 49.4 mt-10 -67.75 -50.16 58.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.972 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.5 ' HE2' ' HB3' ' A' ' 69' ' ' SER . 58.9 mttm -63.04 -22.42 66.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.4 mt -101.35 -48.91 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.93 5.46 4.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.767 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 33.7 t70 52.39 74.69 0.26 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.505 0.669 . . . . 0.0 111.492 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.86 155.01 28.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.84 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.8 123.2 19.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.29 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -77.8 67.44 3.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.24 0.543 . . . . 0.0 110.759 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.9 mt -84.77 -2.35 57.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.642 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.6 mt -135.55 141.72 45.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.253 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.615 ' HB2' ' HB2' ' A' ' 85' ' ' ASP . 19.3 mt-10 -104.2 133.47 49.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.498 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.506 HG11 ' OG1' ' A' ' 65' ' ' THR . 65.0 t -55.68 -60.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.733 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.61 -40.45 79.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.211 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.615 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 10.0 t70 -61.29 -48.82 79.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.312 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 68.0 mtp -62.91 -40.95 99.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.937 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.84 -41.65 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.741 0.305 . . . . 0.0 110.586 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -67.93 -42.07 81.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.703 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.32 -37.63 63.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.417 ' O ' ' HD3' ' A' ' 92' ' ' PRO . . . 74.53 -41.08 0.46 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.66 0.784 . . . . 0.0 111.897 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.1 t -103.56 104.74 43.64 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.08 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.465 ' HG2' ' HB2' ' A' ' 32' ' ' TRP . 13.3 Cg_exo -72.08 152.33 56.61 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.86 2.374 . . . . 0.0 110.93 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.24 137.45 37.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.949 0.404 . . . . 0.0 111.317 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 t -57.99 -36.92 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.208 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -77.63 -45.44 25.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.676 0.274 . . . . 0.0 111.596 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.5 m -57.59 -44.86 85.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.536 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.96 -44.35 92.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.77 0.319 . . . . 0.0 110.225 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.643 ' HE2' ' HB2' ' B' ' 97' ' ' ASN . 29.7 t80 -57.13 -44.16 83.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.151 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.434 HG23 HD21 ' B' ' 97' ' ' ASN . 24.6 m -61.1 -41.6 96.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.53 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -65.17 -47.25 77.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.523 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 51.5 mm -65.34 -38.09 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.739 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -53.7 -57.86 9.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.79 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -69.43 -28.45 66.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 57.4 tp -67.26 -30.89 70.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.216 0.531 . . . . 0.0 109.697 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -67.92 -34.12 76.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.8 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -29.44 70.39 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.955 0.407 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.1 m -62.9 -28.99 70.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.204 0.526 . . . . 0.0 110.254 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.5 mt -82.05 -39.19 23.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.497 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' B' ' 133' ' ' ASP . 21.3 t -66.76 -43.11 90.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.53 ' HA ' ' O ' ' B' ' 132' ' ' GLY . 33.0 tt0 -60.08 -37.17 79.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.546 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -83.4 -7.57 59.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.946 0.403 . . . . 0.0 110.743 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.97 26.92 69.81 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.224 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.168 0.508 . . . . 0.0 111.194 -179.315 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 121.153 0.501 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -56.81 -33.45 66.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.874 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.61 -35.35 79.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.094 0.473 . . . . 0.0 110.453 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.22 -41.42 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.525 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.599 ' HG3' ' HE2' ' B' ' 138' ' ' TYR . 50.9 ttt180 -62.6 -44.93 95.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.975 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.405 ' O ' HG23 ' B' ' 91' ' ' VAL . 47.7 mt-10 -64.18 -31.21 72.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.344 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.34 -37.11 86.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.994 0.426 . . . . 0.0 109.965 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -67.64 -32.64 73.47 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.411 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -69.84 -21.09 63.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.539 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 87' ' ' GLU . 53.8 t -73.75 -30.61 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.536 0.684 . . . . 0.0 109.189 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' PHE . . . . . 0.689 ' HD2' ' HG3' ' B' ' 104' ' ' GLU . 17.2 m-85 -81.98 -38.85 24.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.369 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 93' ' ' ASP . . . . . 0.443 ' CG ' ' H ' ' B' ' 96' ' ' GLY . 32.7 t0 -66.44 134.94 53.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 177.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.504 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 20.4 tptp -85.76 -11.99 52.17 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 95' ' ' ASP . . . . . 0.596 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 22.6 t70 -125.96 -35.09 2.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.092 0.472 . . . . 0.0 111.297 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 96' ' ' GLY . . . . . 0.443 ' H ' ' CG ' ' B' ' 93' ' ' ASP . . . 96.66 56.37 1.17 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' ASN . . . . . 0.643 ' HB2' ' HE2' ' A' ' 98' ' ' TYR . 1.8 t30 -106.36 -26.56 11.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 103.1 -0.98 47.45 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.598 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -111.45 117.68 33.71 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 14.7 pt -127.59 179.15 3.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.048 0.451 . . . . 0.0 111.487 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 74.9 p -86.06 169.15 13.43 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.064 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' ALA . . . . . 0.581 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -71.3 -30.65 66.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.97 -51.3 48.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.97 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.689 ' HG3' ' HD2' ' B' ' 92' ' ' PHE . 1.2 mp0 -59.52 -46.38 89.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.134 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 10.0 tp -55.07 -53.89 50.06 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.652 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.678 ' HD3' HD11 ' B' ' 125' ' ' ILE . 73.8 mtm180 -59.69 -37.41 78.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.787 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -64.18 -34.13 77.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.552 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.568 HG23 ' O ' ' B' ' 104' ' ' GLU . 47.2 t -68.32 -43.97 84.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 85.6 mtp -58.62 -44.55 89.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.942 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.91 -31.86 64.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 111.173 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -72.14 -24.66 61.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.616 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -75.09 -15.71 60.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.91 25.33 38.24 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.206 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -74.36 118.34 17.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.65 0.262 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -77.67 48.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.837 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 tp -94.49 144.09 25.86 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' THR . . . . . 0.439 ' O ' HG23 ' B' ' 121' ' ' VAL . 63.1 p -74.41 149.88 40.26 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.03 -25.25 67.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.371 0.605 . . . . 0.0 110.061 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 12.6 mp0 -64.87 -46.34 82.24 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.776 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -64.8 -33.63 76.44 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 121.09 0.472 . . . . 0.0 110.321 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 117' ' ' THR . 62.1 t -63.98 -42.16 94.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.18 -41.25 92.48 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.095 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 39.3 mt-10 -62.28 -43.75 98.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.255 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.74 -39.74 95.05 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.681 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.678 HD11 ' HD3' ' B' ' 106' ' ' ARG . 97.5 mt -62.32 -35.08 67.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.041 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -77.25 -16.46 59.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.669 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -78.77 -46.17 19.43 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.53 165.87 23.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.071 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -104.72 78.53 1.45 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.064 0.459 . . . . 0.0 110.269 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.581 HG21 ' HB2' ' B' ' 102' ' ' ALA . 4.5 mt -105.96 -64.08 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.58 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.66 124.35 20.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.183 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 132' ' ' GLY . . . . . 0.53 ' O ' ' HA ' ' A' ' 110' ' ' GLN . . . 86.79 8.21 76.83 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.045 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 133' ' ' ASP . . . . . 0.48 ' O ' ' HB ' ' A' ' 109' ' ' VAL . 19.9 t70 -135.31 -68.94 0.51 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 164.1 -154.07 24.75 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.157 -1.021 . . . . 0.0 112.896 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -70.48 154.13 42.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.779 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 136' ' ' VAL . . . . . 0.571 HG11 HG12 ' B' ' 130' ' ' ILE . 2.7 m -120.75 167.32 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 137' ' ' ASN . . . . . 0.528 ' ND2' ' HB2' ' B' ' 139' ' ' GLU . 27.7 p-10 -99.4 141.52 32.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.72 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 138' ' ' TYR . . . . . 0.599 ' HE2' ' HG3' ' B' ' 86' ' ' ARG . 11.3 p90 -69.66 -21.32 63.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.669 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 139' ' ' GLU . . . . . 0.528 ' HB2' ' ND2' ' B' ' 137' ' ' ASN . 5.6 mm-40 -51.96 -43.14 63.41 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 140' ' ' GLU . . . . . 0.433 ' HG2' ' OD1' ' B' ' 137' ' ' ASN . 8.9 mm-40 -72.42 -47.33 50.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.427 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -60.77 -37.52 82.15 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.98 -48.8 86.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 143' ' ' GLN . . . . . 0.515 ' HA ' ' OG1' ' B' ' 146' ' ' THR . 10.8 mm100 -68.36 -26.4 65.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.875 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 66.2 mtp -69.38 -37.54 77.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.071 0.462 . . . . 0.0 110.282 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 16.0 ptp -84.94 -24.06 28.53 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 146' ' ' THR . . . . . 0.515 ' OG1' ' HA ' ' B' ' 143' ' ' GLN . 19.0 p -79.59 -22.67 43.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.699 0.285 . . . . 0.0 111.305 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -91.15 13.46 16.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.061 0.457 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 mttm . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.764 179.76 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.628 0 N-CA-C 114.444 0.538 . . . . 0.0 114.444 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -47.66 85.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.091 0.472 . . . . 0.0 110.28 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -69.79 -31.56 69.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.748 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -64.86 -35.41 81.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.2 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.6 tpt -63.36 -46.52 86.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.559 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.5 mt -68.63 -34.09 75.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.925 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.2 -45.29 93.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.485 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.19 -40.27 86.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.118 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -60.92 -46.49 90.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.621 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 t -67.67 -46.67 71.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.093 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.666 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 23.6 ttm180 -67.42 -8.78 35.84 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.67 -19.26 22.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.1 mtm -105.06 -54.5 2.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.431 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.74 ' HB ' HD11 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -69.35 -3.52 14.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.019 -178.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.666 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 43.1 ttm-85 -70.72 -24.4 62.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 110.093 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -78.29 -8.11 58.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.255 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -92.45 134.92 34.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.934 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -83.34 150.91 25.82 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.594 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 68.7 20.58 8.14 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.952 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -128.28 95.19 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 111.526 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' A' ' 31' ' ' SER . 5.4 p-10 -103.31 109.81 21.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.117 0.484 . . . . 0.0 110.168 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.74 HD11 ' HB ' ' A' ' 17' ' ' THR . 19.4 mt -87.16 84.92 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.11 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -80.17 -57.68 3.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.635 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -135.06 -166.88 1.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.717 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -99.66 16.56 23.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.655 0.264 . . . . 0.0 111.575 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.415 ' HB3' ' CG1' ' A' ' 91' ' ' VAL . 70.6 m -133.72 -70.77 0.52 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.17 -44.59 71.63 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.473 ' HB3' ' O ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -68.43 -18.58 64.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -178.704 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -100.24 1.33 41.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.932 0.396 . . . . 0.0 111.238 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 t -72.33 -21.69 61.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 p -79.14 -21.67 46.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.342 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.4 -29.22 4.04 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.455 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.1 mmt -56.54 -33.52 66.16 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.53 75.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.769 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -69.98 -47.23 63.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.918 0.389 . . . . 0.0 110.428 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.0 m -59.88 -44.76 94.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.434 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.51 96.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.5 tp -63.3 -50.58 69.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.932 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.9 mm -63.02 -38.21 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.035 0.445 . . . . 0.0 110.404 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.27 -25.63 67.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.185 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -71.16 -33.44 70.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.003 0.43 . . . . 0.0 110.165 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -84.24 -44.21 14.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.35 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -122.04 105.11 37.7 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.21 -11.64 29.07 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.756 2.304 . . . . 0.0 112.17 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -103.4 10.33 37.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.55 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.445 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -64.39 -60.17 3.49 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.928 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -167.17 154.59 8.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.88 93.82 2.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.235 0.541 . . . . 0.0 110.568 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -62.63 -35.35 79.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.558 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.47 -11.23 59.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.853 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -106.93 7.33 29.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.107 0.48 . . . . 0.0 111.035 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -87.51 153.06 21.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -129.93 142.79 46.6 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.435 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -63.2 -21.16 72.17 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.872 2.381 . . . . 0.0 111.447 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.52 -13.15 60.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.471 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -107.37 38.67 2.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.175 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -52.89 -39.78 62.97 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 61' ' ' ARG . 36.1 ttm180 -63.58 -45.22 91.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.932 0.396 . . . . 0.0 110.457 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -70.82 -31.19 67.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.39 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.89 -54.61 44.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.035 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HB2' HG13 ' A' ' 83' ' ' VAL . 30.3 m-85 -61.97 -46.27 89.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.651 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.7 m -58.03 -49.67 76.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.66 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.2 tp -61.99 -43.55 98.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.244 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.38 -51.65 64.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.518 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -63.88 -42.25 97.53 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.0 p -63.78 -44.78 92.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.663 0.268 . . . . 0.0 111.485 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.445 HG21 ' HB1' ' A' ' 49' ' ' ALA . 12.6 m -66.53 -42.67 86.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.361 . . . . 0.0 110.737 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.445 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -62.46 -35.78 80.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.487 ' HA ' ' H ' ' A' ' 77' ' ' CYS . 18.4 tt0 -79.04 -32.96 45.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.373 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -75.69 -35.61 60.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 99.2 mt -97.33 -48.33 5.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.43 -10.07 20.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.61 61.45 1.97 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.015 0.436 . . . . 0.0 110.526 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.487 ' H ' ' HA ' ' A' ' 72' ' ' GLU . 31.5 m -83.1 153.3 24.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.109 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.45 136.46 46.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.667 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -77.72 64.23 2.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.054 0.454 . . . . 0.0 110.938 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.5 mt -82.94 -21.46 34.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.647 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.473 ' HB3' ' SD ' ' A' ' 86' ' ' MET . 85.7 mt -118.37 139.67 51.01 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.897 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -114.17 131.39 56.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.422 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.559 HG13 ' HB2' ' A' ' 64' ' ' PHE . 44.1 t -54.75 -54.99 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.099 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.66 -39.45 70.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -75.15 -41.42 58.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.473 ' SD ' ' HB3' ' A' ' 81' ' ' LEU . 88.8 mtp -63.7 -40.43 96.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.698 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.39 -35.15 61.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.1 0.476 . . . . 0.0 110.149 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -68.12 -52.11 38.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.695 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.1 mt -70.34 -25.58 63.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.38 -58.74 0.58 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.582 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 22.7 t -97.61 112.6 61.79 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.884 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 6.6 Cg_exo -74.49 144.3 32.07 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.841 2.361 . . . . 0.0 112.122 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 95' ' ' LYS . 8.6 t70 -69.08 130.38 42.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.227 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -35.5 71.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.428 ' HB3' ' OD2' ' A' ' 93' ' ' ASP . 45.0 tttp -66.74 -42.96 85.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.964 0.411 . . . . 0.0 110.901 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 43.8 m -63.02 -39.08 93.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.458 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' ILE . 79.7 t -65.14 -43.12 95.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.367 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -58.87 -51.94 67.86 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.527 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.3 m -60.91 -36.65 79.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 111.279 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -62.46 -47.19 85.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.659 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 97' ' ' VAL . 38.3 mm -75.11 -28.92 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.422 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -53.3 -61.4 2.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.62 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.459 ' OE2' ' HD2' ' A' ' 106' ' ' ARG . 0.3 OUTLIER -72.42 -28.64 63.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.353 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.504 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 49.2 tp -63.98 -46.92 82.48 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.552 ' O ' HG23 ' A' ' 109' ' ' VAL . 83.4 t80 -58.4 -44.98 89.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.315 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.778 HH12 ' HE2' ' B' ' 99' ' ' TYR . 0.7 OUTLIER -60.46 -33.53 72.7 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.189 0.519 . . . . 0.0 111.077 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.4 m -76.21 -28.96 57.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.467 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 39.6 mt -76.48 -32.14 58.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 105' ' ' TYR . 61.9 t -68.27 -48.79 71.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.421 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -70.96 -5.3 29.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.608 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -100.69 -2.81 31.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.811 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.51 17.51 76.38 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.298 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.1 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 120.649 0.261 . . . . 0.0 111.077 -179.473 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.489 ' OE2' ' HD2' ' B' ' 86' ' ' ARG . 15.3 tt0 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 121.108 0.48 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -57.84 -41.45 82.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.119 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -60.09 -40.78 90.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.622 0.248 . . . . 0.0 111.549 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 88.7 mt -66.38 -44.36 90.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.489 ' HD2' ' OE2' ' B' ' 82' ' ' GLU . 14.9 mtp180 -64.88 -35.28 80.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.339 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.98 -41.72 99.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.011 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.6 94.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.379 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -66.44 -34.8 78.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.484 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -65.31 -22.42 66.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.268 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 60.0 t -69.62 -38.03 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.423 . . . . 0.0 109.866 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -70.52 -30.52 67.31 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.157 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -72.97 125.39 27.49 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' B' ' 94' ' ' LYS . 0.6 OUTLIER -89.03 16.41 7.11 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.531 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -151.66 -51.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.429 . . . . 0.0 111.66 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.15 58.9 0.26 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -113.27 -27.93 7.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.936 0.398 . . . . 0.0 110.245 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.33 18.71 52.26 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' TYR . . . . . 0.778 ' HE2' HH12 ' A' ' 106' ' ' ARG . 2.3 m-85 -113.89 123.23 49.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.373 . . . . 0.0 110.173 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.2 pt -138.47 159.34 31.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.325 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.4 178.48 5.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.785 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.56 71.22 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.53 0.566 . . . . 0.0 112.53 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.55 -54.45 35.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.802 0.334 . . . . 0.0 111.281 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.576 ' O ' HG23 ' B' ' 108' ' ' VAL . 1.8 mp0 -64.31 -48.23 76.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.648 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.34 -51.03 63.75 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.704 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.47 ' HG3' HG11 ' B' ' 121' ' ' VAL . 18.5 ttt180 -60.36 -36.38 77.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.991 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -69.3 -30.26 68.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.49 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 104' ' ' GLU . 44.8 t -66.68 -42.64 89.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.963 0.411 . . . . 0.0 110.121 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 80.9 mtp -58.61 -48.57 80.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.276 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -28.47 63.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.331 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -70.34 -40.08 74.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.67 -26.11 67.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.201 0.524 . . . . 0.0 110.546 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.98 13.29 27.63 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.108 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -67.66 117.41 9.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.019 0.438 . . . . 0.0 110.026 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -80.54 65.57 5.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.678 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 tp -107.79 124.85 50.66 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.41 146.21 49.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.129 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.81 -35.86 64.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.42 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -60.66 -39.9 90.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.447 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -70.24 -43.31 70.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.445 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.47 HG11 ' HG3' ' B' ' 106' ' ' ARG . 46.6 t -60.24 -50.96 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.476 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.86 -37.76 85.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.183 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.52 -42.92 98.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.054 0.454 . . . . 0.0 110.279 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -43.44 92.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.632 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.51 HG23 HD12 ' B' ' 130' ' ' ILE . 98.8 mt -64.39 -30.09 49.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.272 179.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -68.61 -26.3 65.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.513 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.4 -30.46 57.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.61 157.26 19.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.886 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -104.49 95.52 5.98 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.558 0.694 . . . . 0.0 111.598 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.51 HD12 HG23 ' B' ' 125' ' ' ILE . 50.3 mt -117.18 -57.83 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -67.29 102.84 1.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 111.512 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 120.48 -3.96 12.19 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.402 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -126.68 -73.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 167.13 -163.08 36.84 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.175 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -64.01 156.31 28.43 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.852 0.358 . . . . 0.0 111.225 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 16.6 m -125.91 169.61 17.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.878 0.37 . . . . 0.0 111.257 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -101.33 140.34 35.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.286 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 138' ' ' TYR . . . . . 0.411 ' HE2' ' HG2' ' B' ' 86' ' ' ARG . 51.6 p90 -65.79 -23.18 66.65 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 139' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' B' ' 143' ' ' GLN . 4.3 tt0 -60.78 -34.78 75.01 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -58.93 -38.4 78.89 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.188 0.518 . . . . 0.0 110.441 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -71.14 -35.55 71.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.314 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.94 -42.13 93.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.879 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 143' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' B' ' 139' ' ' GLU . 72.5 mt-30 -61.05 -40.33 93.21 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.24 0.543 . . . . 0.0 110.141 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 3.0 ttm -68.05 -42.48 80.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 67.3 mtm -64.35 -30.4 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.874 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.1 p -85.09 -19.03 32.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.8 0.333 . . . . 0.0 111.436 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -90.5 -15.89 29.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.591 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.669 -0.681 . . . . 0.0 109.937 179.768 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.821 0 N-CA-C 112.896 -0.082 . . . . 0.0 112.896 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -63.29 -23.96 67.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.371 0.605 . . . . 0.0 110.48 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.426 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 87.4 tttt -61.36 -32.5 72.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.686 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -69.49 -27.8 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.9 tpt -65.6 -50.86 63.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.601 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.91 -36.49 82.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.258 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.56 -46.78 88.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.536 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -66.15 -40.21 90.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.531 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -65.1 -47.89 75.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.8 -43.83 87.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.584 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -62.51 -35.16 78.51 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.017 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.34 -34.94 78.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.603 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.509 ' SD ' ' HE2' ' A' ' 44' ' ' LYS . 25.6 mmt -73.3 -39.83 65.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.381 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.439 ' HA ' ' HD2' ' A' ' 20' ' ' TYR . 4.7 p -77.9 -7.79 57.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -66.46 -25.66 66.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.842 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -87.7 11.56 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.172 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.439 ' HD2' ' HA ' ' A' ' 17' ' ' THR . 56.5 m-85 -119.94 157.79 28.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.091 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -111.58 153.22 26.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 67.84 7.18 5.56 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.579 0.549 . . . . 0.0 111.83 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.9 t -131.68 114.09 24.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.071 0.462 . . . . 0.0 111.141 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -138.08 106.22 5.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.455 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.4 mt -74.47 95.68 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.371 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -91.34 -44.62 9.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.039 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -124.51 144.62 50.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.404 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.98 34.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 0.0 111.907 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.9 m -153.38 -67.29 0.15 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.807 0.337 . . . . 0.0 110.836 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -38.69 92.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 m -73.95 -3.6 30.06 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -109.33 -0.29 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.615 0.245 . . . . 0.0 111.289 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -69.71 -10.95 60.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.896 0.379 . . . . 0.0 111.961 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 p -87.24 -24.25 24.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.072 0.463 . . . . 0.0 111.03 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.39 -30.85 3.0 Favored Glycine 0 C--O 1.229 -0.194 0 CA-C-N 116.098 -0.501 . . . . 0.0 113.249 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.9 mmm -57.68 -26.38 61.61 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.78 -39.31 80.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.768 0.318 . . . . 0.0 111.718 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.403 ' O ' HG12 ' A' ' 42' ' ' ILE . 75.8 m-85 -65.19 -48.2 74.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.014 0.435 . . . . 0.0 110.181 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -39.77 93.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.298 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.36 92.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.35 -44.29 88.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.233 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 38' ' ' PHE . 50.7 mm -64.52 -43.95 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.066 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -64.58 -27.78 69.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.364 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.509 ' HE2' ' SD ' ' A' ' 16' ' ' MET . 49.6 tptt -63.19 -39.89 95.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.124 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -95.66 -35.74 11.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -114.19 96.57 42.82 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.802 0.334 . . . . 0.0 111.45 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -72.8 -16.74 26.21 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.903 2.402 . . . . 0.0 111.292 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.67 -10.06 47.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.806 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.406 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -59.03 -67.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.01 0.433 . . . . 0.0 111.315 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -167.08 158.75 12.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.701 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 25.5 t0 -86.58 126.24 34.35 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.924 0.392 . . . . 0.0 110.209 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -71.87 -23.34 61.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.292 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.16 -25.03 51.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.801 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -82.95 -25.12 32.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.334 0.588 . . . . 0.0 110.45 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 51' ' ' ASP . 94.5 mt -69.7 141.25 53.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 1.8 p-10 -131.2 138.2 32.34 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.772 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 56' ' ' ASP . 51.1 Cg_exo -55.49 -28.64 65.35 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.687 2.925 . . . . 0.0 114.647 -178.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HB3' ' OD2' ' A' ' 56' ' ' ASP . . . -65.33 -36.49 84.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.029 0.442 . . . . 0.0 111.004 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -86.92 32.99 0.66 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.776 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -51.33 -30.52 18.69 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -62.32 -60.28 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.0 110.404 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -67.68 -30.03 69.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.387 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -60.02 -48.91 79.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.088 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.49 -41.2 93.8 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.927 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 m -63.51 -46.58 85.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.645 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.7 tp -61.75 -41.92 98.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.639 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.61 73.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.236 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -67.36 -45.4 76.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.2 p -61.16 -47.69 85.01 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.406 HG21 ' HB1' ' A' ' 49' ' ' ALA . 7.4 m -63.66 -39.12 93.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.674 0.274 . . . . 0.0 111.322 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.88 -31.34 72.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.418 0.628 . . . . 0.0 109.841 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -74.82 -37.67 62.24 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.269 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -74.6 -42.55 58.48 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.6 mt -93.34 7.3 44.98 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.28 -30.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 66.24 88.0 0.11 Allowed 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 10.5 m -106.57 -159.42 0.7 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.427 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -113.22 117.55 32.2 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -76.81 71.95 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.08 0.467 . . . . 0.0 111.188 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.5 mt -74.46 -42.54 58.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.295 0.569 . . . . 0.0 110.127 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.9 mt -98.43 156.63 16.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.87 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -122.86 146.75 47.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.295 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.6 t -56.62 -59.34 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.447 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -56.61 -49.16 75.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.421 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -56.62 -50.82 70.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.844 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.5 mtp -63.78 -37.55 87.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.963 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.24 -38.25 79.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.903 0.383 . . . . 0.0 110.674 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -72.09 -43.46 64.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.753 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.6 mt -78.91 -34.59 44.56 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.59 -53.17 0.7 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.471 0.708 . . . . 0.0 111.827 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.1 t -101.62 112.04 64.69 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.278 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.47 174.8 8.64 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.784 2.323 . . . . 0.0 111.71 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.586 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 15.2 t70 -85.35 149.3 25.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.796 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.2 m -63.28 -41.69 99.02 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.542 ' HB3' ' HB3' ' B' ' 95' ' ' ASP . 54.6 pttt -85.81 -23.06 27.34 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.586 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 91.2 m -63.85 -41.06 97.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 101' ' ' ILE . 40.9 t -76.32 -37.34 31.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.512 ' HB3' ' HA ' ' A' ' 95' ' ' LYS . 49.6 t80 -55.03 -47.7 74.39 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.899 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.659 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 8.2 m -61.32 -47.82 84.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.355 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -55.95 -41.28 74.45 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.075 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 97' ' ' VAL . 49.0 mm -65.92 -40.02 86.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.036 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -45.45 83.97 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.988 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 99' ' ' THR . 15.5 mm-40 -62.54 -38.77 91.29 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.274 0.559 . . . . 0.0 110.021 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 53.5 tp -68.5 -41.67 79.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.166 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.429 ' O ' HG23 ' A' ' 109' ' ' VAL . 71.0 t80 -57.47 -45.23 85.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.371 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.487 ' HD3' ' CG ' ' B' ' 133' ' ' ASP . 27.5 ttp180 -56.09 -45.72 79.3 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.214 0.53 . . . . 0.0 110.463 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.6 m -61.34 -39.85 92.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 61.9 mt -68.15 -35.12 77.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.037 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 105' ' ' TYR . 83.4 t -70.52 -48.12 61.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.478 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -67.63 -20.11 65.29 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -87.02 -12.66 46.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.313 0.577 . . . . 0.0 110.243 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.75 15.18 73.76 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.792 -0.64 . . . . 0.0 113.041 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 98.4 mt . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 121.008 0.432 . . . . 0.0 110.933 -179.62 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 121.129 0.49 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -62.17 -30.5 71.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.439 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -55.14 -50.91 68.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.035 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 33.3 mt -64.52 -40.79 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.592 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -62.36 -44.6 96.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.614 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.474 ' O ' HG23 ' B' ' 91' ' ' VAL . 7.3 tp10 -68.25 -39.6 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.724 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.18 -47.12 84.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.289 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -69.49 -30.34 68.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -63.28 -30.09 71.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.504 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 87' ' ' GLU . 19.2 t -68.14 -27.62 37.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.989 0.423 . . . . 0.0 110.776 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -72.29 -41.93 66.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -66.32 155.37 37.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.21 -2.79 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 95' ' ' ASP . . . . . 0.542 ' HB3' ' HB3' ' A' ' 95' ' ' LYS . 1.1 m-20 -143.82 -17.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.84 64.63 1.14 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -123.16 -34.77 3.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' GLY . . . . . 0.567 ' HA2' ' HE1' ' B' ' 138' ' ' TYR . . . 95.41 12.59 53.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.927 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 99' ' ' TYR . . . . . 0.517 ' HB3' ' HG2' ' B' ' 135' ' ' GLN . 4.4 m-30 -95.43 107.92 20.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.431 0.158 . . . . 0.0 111.0 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.693 HG12 ' HB3' ' B' ' 138' ' ' TYR . 1.8 pp -119.51 142.32 35.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.589 0.233 . . . . 0.0 110.833 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.03 144.57 38.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.773 0.321 . . . . 0.0 111.132 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.1 82.01 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.69 -37.94 77.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.147 0.498 . . . . 0.0 110.692 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.608 ' O ' HG23 ' B' ' 108' ' ' VAL . 2.5 mp0 -80.44 -41.18 24.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.182 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 24.3 tp -54.5 -44.48 72.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.395 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.828 ' HG3' HG11 ' B' ' 121' ' ' VAL . 12.7 ttt180 -64.13 -29.38 70.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.03 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' HIS . . . . . 0.493 ' O ' ' HB2' ' B' ' 111' ' ' ASN . 3.4 t-80 -85.65 -23.37 27.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.318 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 104' ' ' GLU . 85.8 t -66.48 -48.55 80.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.744 0.307 . . . . 0.0 110.503 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' MET . . . . . 0.499 ' O ' ' HB2' ' B' ' 114' ' ' GLU . 83.7 mtp -58.54 -42.23 87.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.317 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.64 -32.1 67.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.088 0.471 . . . . 0.0 110.85 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 111' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' B' ' 107' ' ' HIS . 1.0 OUTLIER -73.14 -29.09 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.041 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' ' 108' ' ' VAL . 82.0 mt -71.87 -9.42 58.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.432 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.5 27.29 18.04 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.175 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' B' ' 109' ' ' MET . 2.9 mm-40 -83.54 164.5 19.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.703 0.287 . . . . 0.0 110.418 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -126.58 28.99 5.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.205 0.526 . . . . 0.0 111.314 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' B' ' 120' ' ' GLU . 14.1 tp -70.63 132.01 44.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.377 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.18 152.43 40.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.706 0.288 . . . . 0.0 111.246 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -59.06 -40.79 86.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.156 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -60.85 -36.63 79.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.722 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.421 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 47.7 mm-40 -61.39 -40.51 94.62 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.932 0.396 . . . . 0.0 110.181 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.828 HG11 ' HG3' ' B' ' 106' ' ' ARG . 19.8 t -62.59 -44.05 99.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.347 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -40.14 96.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -60.08 -45.99 91.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.056 0.455 . . . . 0.0 109.908 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 63.3 mtt -66.26 -34.46 78.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.459 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.765 HG23 HD12 ' B' ' 130' ' ' ILE . 34.9 mt -65.5 -38.52 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.142 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -71.88 -22.76 61.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.437 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -88.87 -9.35 51.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.259 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -113.36 161.16 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.291 0.567 . . . . 0.0 112.244 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -85.68 89.68 7.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.266 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.765 HD12 HG23 ' B' ' 125' ' ' ILE . 40.3 mt -115.16 -65.84 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.259 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -66.46 131.78 46.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.78 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.25 -21.04 46.19 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.777 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 133' ' ' ASP . . . . . 0.487 ' CG ' ' HD3' ' A' ' 106' ' ' ARG . 2.1 t0 -104.98 -65.23 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.153 0.502 . . . . 0.0 110.309 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 134.95 -66.02 0.57 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.973 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 135' ' ' GLN . . . . . 0.517 ' HG2' ' HB3' ' B' ' 99' ' ' TYR . 0.1 OUTLIER -106.53 155.9 19.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.837 0.351 . . . . 0.0 110.833 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 1.3 t -117.03 151.42 18.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -86.24 108.78 18.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.305 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 138' ' ' TYR . . . . . 0.693 ' HB3' HG12 ' B' ' 100' ' ' ILE . 24.8 p90 -60.48 -27.73 67.79 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.63 -39.73 68.26 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.817 0.342 . . . . 0.0 111.751 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -63.78 -26.8 68.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.08 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -92.26 -42.24 9.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.422 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 93.8 t -59.8 -47.99 89.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.084 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -68.51 -32.66 72.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.252 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 40.7 ttm -68.73 -47.94 65.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.776 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 63.4 mtm -61.4 -36.54 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.769 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 3.6 p -82.01 1.8 33.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -110.53 3.51 19.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.382 0.61 . . . . 0.0 109.566 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.422 -179.78 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 111.739 -0.544 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 p -62.25 -41.53 98.52 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -63.62 -36.2 83.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.655 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -67.07 -35.73 80.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -60.69 -49.81 76.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.014 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.0 mt -66.04 -35.76 81.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.0 tp -65.17 -43.35 92.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.62 -42.58 99.09 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.665 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -61.63 -46.84 88.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.8 m -69.64 -39.55 77.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -54.98 -38.62 68.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.345 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.8 95.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.918 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.8 ptp -83.9 -18.34 37.73 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.48 HG21 ' H ' ' A' ' 25' ' ' ILE . 41.8 m -64.82 -30.93 71.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.324 0.583 . . . . 0.0 110.036 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -67.91 -15.05 63.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.738 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -88.11 -1.52 58.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 110.559 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -117.46 151.61 36.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -110.61 148.28 32.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.75 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.6 t60 69.73 14.23 8.11 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.689 0.618 . . . . 0.0 111.259 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -130.07 115.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.778 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -128.88 93.77 3.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.003 0.43 . . . . 0.0 110.594 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.552 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 67.4 mt -84.48 100.36 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.079 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -105.02 -15.91 14.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.488 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -161.97 165.34 27.59 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.547 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 88.3 m-85 -90.21 57.1 3.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.922 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 p -158.32 -84.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.48 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -57.54 -41.62 81.29 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.552 ' CB ' ' HA ' ' A' ' 25' ' ' ILE . 10.0 m -69.63 -8.08 44.44 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.431 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 70.1 m95 -110.29 -5.42 15.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.794 0.331 . . . . 0.0 111.358 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.6 m -67.15 -18.77 65.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.1 -16.04 58.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.032 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.1 -47.04 2.81 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.236 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.3 mmm -48.54 -33.18 9.16 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.19 -34.69 64.1 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.45 ' O ' HG12 ' A' ' 42' ' ' ILE . 67.4 m-85 -64.19 -52.8 57.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.978 0.418 . . . . 0.0 110.77 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.7 m -66.87 -31.79 72.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.766 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.54 97.85 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 110.376 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 tp -68.15 -42.43 80.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.779 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 38' ' ' PHE . 51.8 mm -61.55 -46.0 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.004 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -68.03 -19.96 64.95 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -68.71 -34.65 76.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.37 . . . . 0.0 110.094 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -98.0 -35.29 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.476 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -114.39 100.41 52.87 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.849 0.357 . . . . 0.0 111.466 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.9 -39.15 3.47 Favored 'Trans proline' 0 CA--C 1.528 0.178 0 C-N-CA 123.039 2.493 . . . . 0.0 111.947 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -81.85 15.87 2.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.156 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.731 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -81.69 -58.67 2.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.853 0.358 . . . . 0.0 111.371 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -169.77 169.61 8.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.783 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -95.67 116.37 28.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -72.34 -27.34 62.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.119 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.71 -17.05 62.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.09 0.471 . . . . 0.0 110.447 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -95.81 10.89 35.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.806 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.0 mt -105.86 132.82 51.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.191 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -108.05 150.07 39.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.07 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.89 -17.58 56.02 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.543 2.162 . . . . 0.0 110.99 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.07 -8.46 59.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.019 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -105.19 38.39 1.96 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.038 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -56.79 -43.85 81.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.097 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -58.9 -48.54 81.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.011 0.434 . . . . 0.0 110.097 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -38.62 91.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.372 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -56.59 -48.67 76.9 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.799 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -61.81 -43.44 98.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.486 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -64.7 -46.74 81.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.004 0.43 . . . . 0.0 110.136 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.51 -49.32 78.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.56 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.39 -53.48 56.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.902 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -62.79 -52.11 64.48 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.0 m -59.3 -47.55 84.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.731 HG21 ' HB1' ' A' ' 49' ' ' ALA . 14.6 m -63.38 -40.6 97.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.748 0.308 . . . . 0.0 111.098 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.42 -39.06 88.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 110.581 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 4.0 tt0 -71.39 -33.16 69.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.175 0.512 . . . . 0.0 110.898 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -75.92 -31.07 58.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.937 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.6 mt -99.35 -52.1 3.6 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.03 0.5 25.68 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 5.5 p-10 41.63 54.72 3.7 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 7.7 p -79.68 163.31 24.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.58 139.4 35.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.344 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -80.43 86.06 5.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.686 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.2 mt -79.55 -14.8 58.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.664 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.1 mt -132.62 159.5 39.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.652 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.591 ' HB2' ' HB3' ' A' ' 85' ' ' ASP . 57.4 mt-10 -115.38 153.67 30.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.644 0.259 . . . . 0.0 111.069 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.71 -57.36 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.547 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.8 -36.75 74.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.702 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 1.1 t70 -63.04 -53.18 57.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.042 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.414 ' CE ' ' HA ' ' A' ' 86' ' ' MET . 19.0 mmt -61.3 -40.92 95.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.632 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.97 -38.69 83.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.824 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.3 ttp-105 -77.04 -52.07 9.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.041 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -42.95 86.45 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.45 ' O ' ' HD3' ' A' ' 92' ' ' PRO . . . 72.83 -46.25 0.64 Allowed 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.74 104.29 30.29 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 90' ' ' ALA . 7.8 Cg_exo -74.12 147.97 38.89 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.811 2.341 . . . . 0.0 112.318 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.578 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 18.5 t0 -73.77 137.24 43.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.615 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.3 t -60.19 -30.59 69.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.421 ' HG3' ' OD2' ' B' ' 95' ' ' ASP . 28.6 tttp -72.63 -40.85 66.1 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.132 0.491 . . . . 0.0 110.916 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.578 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 55.8 m -65.51 -45.91 81.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.187 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' A' ' 28' ' ' PHE . 21.3 t -68.68 -41.63 82.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.493 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -56.45 -52.4 64.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.89 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.8 m -62.02 -35.78 79.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.441 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.26 -45.84 89.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.864 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.3 mm -73.98 -31.51 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.146 0.498 . . . . 0.0 109.999 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -55.93 -55.14 36.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.001 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.83 -38.99 73.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.398 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.32 -41.44 89.11 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.662 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.524 ' O ' HG23 ' A' ' 109' ' ' VAL . 83.5 t80 -60.4 -40.32 90.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.245 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.569 ' HG2' ' H ' ' B' ' 135' ' ' GLN . 82.7 mtp180 -61.01 -46.88 88.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 m -59.7 -33.35 71.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.081 0.467 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.2 mt -75.79 -25.34 56.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.685 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 105' ' ' TYR . 92.2 t -74.48 -46.21 43.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.593 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.403 ' H ' ' HG2' ' A' ' 110' ' ' GLN . 1.3 pt20 -63.91 -30.35 71.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.974 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -82.98 -13.18 56.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.778 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 73.09 38.56 54.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.946 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.843 0.354 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.29 -30.99 61.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.856 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -59.26 -32.97 70.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.98 -42.56 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.067 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.439 ' HG3' ' CE2' ' B' ' 138' ' ' TYR . 54.3 ttt180 -65.33 -39.36 92.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.041 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.499 ' O ' HG23 ' B' ' 91' ' ' VAL . 38.9 mt-10 -67.07 -32.86 74.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.812 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.48 96.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.984 0.421 . . . . 0.0 109.933 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -71.63 -33.34 68.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.804 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -60.47 -33.24 72.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.554 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 87' ' ' GLU . 89.8 t -62.87 -37.5 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.041 0.448 . . . . 0.0 110.829 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -72.03 -37.37 69.76 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.568 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -67.42 137.07 55.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' B' ' 94' ' ' LYS . 44.8 mmtm -113.31 7.6 17.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 95' ' ' ASP . . . . . 0.421 ' OD2' ' HG3' ' A' ' 95' ' ' LYS . 9.6 t70 -132.43 -25.08 1.98 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.155 0.502 . . . . 0.0 111.002 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.24 43.05 5.71 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.771 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' ASN . . . . . 0.704 ' HB3' ' HD2' ' B' ' 99' ' ' TYR . 4.3 m-20 -102.92 -36.37 8.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.094 0.473 . . . . 0.0 110.914 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 95.82 13.63 49.47 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.153 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' TYR . . . . . 0.704 ' HD2' ' HB3' ' B' ' 97' ' ' ASN . 58.7 m-85 -117.41 123.69 47.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.0 pt -139.82 179.73 2.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.4 p -98.93 171.59 7.96 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.661 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' ALA . . . . . 0.652 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -65.72 -23.9 66.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.42 -50.8 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.237 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.577 ' O ' HG23 ' B' ' 108' ' ' VAL . 6.3 mp0 -67.76 -39.15 84.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.702 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 44.0 tp -54.05 -52.56 60.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.427 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -68.09 -31.15 70.57 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -65.5 -34.94 79.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 104' ' ' GLU . 58.9 t -71.02 -43.33 76.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 9.1 mtt -58.86 -45.8 89.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.491 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 2.0 p -74.31 -9.97 59.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.709 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -98.39 -12.29 21.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.14 0.495 . . . . 0.0 110.602 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 108' ' ' VAL . 86.2 mt -92.9 4.69 53.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.136 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.23 32.26 79.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.103 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -72.46 142.52 48.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.589 0.233 . . . . 0.0 110.667 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -96.38 18.26 14.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.284 0.564 . . . . 0.0 110.326 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.611 HD23 HG22 ' B' ' 121' ' ' VAL . 10.3 tp -77.28 120.27 22.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.219 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 121' ' ' VAL . 55.3 p -69.28 154.41 42.08 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.58 -34.99 65.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.557 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.542 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 1.6 mp0 -60.0 -45.97 91.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.093 178.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.443 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 38.6 mt-10 -63.88 -39.33 93.94 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.032 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.611 HG22 HD23 ' B' ' 116' ' ' LEU . 46.5 t -63.42 -42.92 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.446 179.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -59.82 -40.37 88.18 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.904 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 32.2 mt-10 -60.79 -48.04 83.61 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.903 178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 40.8 mtt -60.12 -43.49 95.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.862 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.626 HG23 HD12 ' B' ' 130' ' ' ILE . 90.0 mt -65.39 -34.94 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.427 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 26.0 ttm-85 -70.48 -25.0 62.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.341 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 127' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' B' ' 123' ' ' GLU . 36.3 mt-10 -80.74 -9.19 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.072 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -118.64 153.84 33.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.093 0.473 . . . . 0.0 110.419 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.95 68.85 10.68 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.207 0.527 . . . . 0.0 111.114 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.652 HG21 ' HB2' ' B' ' 102' ' ' ALA . 45.7 mt -96.84 -60.29 2.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.841 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.28 110.67 3.62 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 113.63 -14.44 22.4 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.658 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -105.15 -57.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.78 0.324 . . . . 0.0 110.54 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 133.22 -106.86 0.65 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.654 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 135' ' ' GLN . . . . . 0.569 ' H ' ' HG2' ' A' ' 106' ' ' ARG . 9.0 mm-40 -89.24 140.04 29.88 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 136' ' ' VAL . . . . . 0.622 HG11 HG12 ' B' ' 130' ' ' ILE . 15.5 m -130.63 165.13 31.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.837 0.351 . . . . 0.0 111.155 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 137' ' ' ASN . . . . . 0.529 ' OD1' ' HG2' ' B' ' 140' ' ' GLU . 25.7 p-10 -94.88 141.96 28.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.144 0.497 . . . . 0.0 111.005 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 138' ' ' TYR . . . . . 0.439 ' CE2' ' HG3' ' B' ' 86' ' ' ARG . 47.9 p90 -68.17 -24.87 65.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.752 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -54.05 -43.39 70.18 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 140' ' ' GLU . . . . . 0.529 ' HG2' ' OD1' ' B' ' 137' ' ' ASN . 12.3 mm-40 -60.62 -45.17 95.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.711 0.291 . . . . 0.0 111.032 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -39.99 92.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.075 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 77.8 t -62.2 -43.91 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.083 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -65.89 -33.28 75.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.261 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 82.7 mtp -70.89 -47.81 57.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 23.2 ptp -67.01 -24.78 66.06 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 16.5 p -87.36 -20.23 27.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.04 0.448 . . . . 0.0 110.721 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.49 -29.57 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.634 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.865 179.898 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.815 ' HA2' ' HD2' ' B' ' 94' ' ' LYS . . . . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 113.39 0.116 . . . . 0.0 113.39 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -49.43 24.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.326 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.548 ' HE2' ' HB2' ' B' ' 95' ' ' ASP . 27.4 mttt -64.35 -29.41 70.48 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.554 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.43 -35.79 76.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.684 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.1 tpp -61.74 -53.1 60.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.7 mt -65.76 -36.5 83.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.818 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.46 -46.46 86.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.144 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -64.52 -44.86 89.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.3 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -59.23 -43.83 92.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.626 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -68.41 -49.66 58.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.693 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.559 ' HA ' HD12 ' A' ' 25' ' ' ILE . 35.0 ttm180 -58.26 -32.32 68.27 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.87 -17.96 64.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.4 mtm -117.47 -45.42 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.931 ' HB ' HD11 ' A' ' 25' ' ' ILE . 1.3 m -68.33 -11.84 60.15 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 19.4 ttm-85 -69.69 -13.89 62.53 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.438 0.637 . . . . 0.0 110.189 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -77.27 -11.84 59.88 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.464 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -92.57 127.83 38.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.458 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.1 mp0 -75.63 146.48 40.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.734 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 69.21 18.67 8.1 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.667 0.604 . . . . 0.0 110.86 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.3 t -123.07 117.47 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.654 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -116.0 149.27 39.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.931 HD11 ' HB ' ' A' ' 17' ' ' THR . 10.6 mt -129.45 96.96 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.856 0.36 . . . . 0.0 111.233 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -97.99 -51.24 4.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.233 0.54 . . . . 0.0 109.653 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -157.02 167.57 30.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.952 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.404 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 60.6 m-85 -77.57 48.24 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.636 0.255 . . . . 0.0 111.348 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 m -148.61 -81.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -60.89 -45.06 96.11 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.05 2.0 9.79 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.404 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 39.2 m95 -122.34 14.2 10.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.482 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.7 t -69.03 -31.89 71.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.479 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.3 p -79.28 -27.73 42.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.279 0.562 . . . . 0.0 110.604 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.12 -3.68 79.65 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.763 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.49 -30.53 71.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.421 . . . . 0.0 110.335 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.57 -33.25 72.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.251 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.41 ' O ' HG12 ' A' ' 42' ' ' ILE . 39.7 m-85 -63.21 -55.62 23.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.086 0.469 . . . . 0.0 110.032 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 41.9 m -63.45 -35.66 81.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.25 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.16 98.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.794 0.33 . . . . 0.0 110.683 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.4 tp -71.32 -46.74 59.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 38' ' ' PHE . 49.4 mm -61.18 -39.11 81.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.008 0.432 . . . . 0.0 110.768 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -64.22 -24.34 67.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.265 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -73.96 -28.88 61.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.022 0.439 . . . . 0.0 110.433 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -90.72 -39.42 12.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.639 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.43 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 78.2 m-85 -126.39 102.1 27.07 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.007 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.44 -29.29 25.61 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 122.848 2.365 . . . . 0.0 111.972 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -86.09 -0.81 56.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.376 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.755 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -62.55 -56.52 17.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.761 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -169.41 164.11 10.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.804 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.507 ' HB2' ' HB2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -94.1 111.88 23.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.985 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.561 ' HA ' HD12 ' A' ' 55' ' ' LEU . 89.4 t80 -69.38 -37.9 77.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.1 -21.76 66.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.072 0.463 . . . . 0.0 111.202 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 13.3 mm-40 -93.36 -1.45 55.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.366 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 52' ' ' TYR . 30.0 mt -79.81 136.41 36.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.012 0.434 . . . . 0.0 110.981 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.441 ' HB2' ' HE2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -101.69 121.87 49.63 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.46 179.532 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.412 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 19.2 Cg_endo -60.14 -21.56 66.4 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.705 2.27 . . . . 0.0 112.593 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.97 -7.2 55.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.159 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 56' ' ' ASP . 55.4 mtmt -115.93 49.84 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.812 0.339 . . . . 0.0 110.379 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 57' ' ' PRO . 54.2 mtm180 -57.07 -33.53 67.36 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.14 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.7 mtm105 -59.51 -45.34 91.99 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.906 0.384 . . . . 0.0 110.272 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -74.37 -34.84 63.47 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -59.02 -53.95 52.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.86 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -59.24 -44.51 92.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.715 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.7 m -60.64 -45.46 94.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.6 tp -61.95 -41.63 98.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.535 -179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.65 -54.61 43.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.436 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -62.22 -51.32 68.25 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.3 p -56.48 -48.62 76.72 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.755 HG21 ' HB1' ' A' ' 49' ' ' ALA . 13.6 m -65.65 -40.03 92.03 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.574 0.226 . . . . 0.0 111.242 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.37 -43.52 98.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.168 0.509 . . . . 0.0 109.943 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.49 ' HA ' ' H ' ' A' ' 77' ' ' CYS . 31.6 tt0 -70.55 -41.42 72.5 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.648 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 73' ' ' LYS . 31.1 tptt -67.44 -33.26 74.78 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.8 mt -100.99 -33.74 10.05 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.6 1.24 12.23 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 t70 55.39 45.0 26.27 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.089 0.471 . . . . 0.0 111.456 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.49 ' H ' ' HA ' ' A' ' 72' ' ' GLU . 46.7 m -72.7 152.71 41.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.057 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.17 142.09 33.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.511 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -79.8 76.51 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.002 0.43 . . . . 0.0 110.27 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 100' ' ' TYR . 94.6 mt -82.41 -14.9 54.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.328 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.6 mt -136.53 147.26 46.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.157 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -110.54 142.06 42.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.533 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.57 -56.31 18.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.82 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -60.06 -30.64 69.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.105 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.638 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 2.1 t0 -76.56 -48.95 17.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.754 0.311 . . . . 0.0 110.692 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 83.3 mtp -58.78 -48.04 82.61 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.0 t -60.9 -35.36 64.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.137 0.494 . . . . 0.0 110.329 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -69.4 -40.54 77.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 85' ' ' ASP . 55.3 mt -73.39 -31.46 63.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.053 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.93 -50.38 0.69 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.405 0.682 . . . . 0.0 111.797 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.5 t -110.7 104.88 56.71 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.35 144.97 63.91 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.932 2.421 . . . . 0.0 112.484 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' OD2' ' HB3' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -71.0 136.35 48.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.29 179.335 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 m -60.72 -27.82 68.19 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.42 ' HB3' ' OD2' ' A' ' 93' ' ' ASP . 49.6 tttp -72.08 -48.35 44.76 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.696 0.284 . . . . 0.0 111.41 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.1 m -58.15 -45.39 87.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.75 -42.6 89.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.421 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -58.38 -50.91 71.96 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.718 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.0 m -59.38 -41.64 89.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.406 ' HA ' HD12 ' A' ' 80' ' ' LEU . 58.2 t80 -60.96 -49.65 76.57 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.279 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.52 -36.33 70.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.555 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.55 -52.47 65.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.21 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.89 -36.47 83.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.774 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 49.8 tp -66.12 -34.54 78.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.263 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.521 ' HA ' HD12 ' A' ' 108' ' ' LEU . 54.3 t80 -59.4 -33.31 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.265 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.499 ' HA ' ' HA3' ' B' ' 134' ' ' GLY . 41.2 mtp180 -67.96 -30.54 69.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.075 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 m -79.65 -8.07 58.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.394 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 105' ' ' TYR . 36.4 mt -96.24 -39.49 9.64 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.667 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.601 ' HB ' ' O ' ' B' ' 133' ' ' ASP . 59.1 t -64.05 -40.85 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 120.894 0.378 . . . . 0.0 111.036 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.427 ' OE1' ' HE2' ' A' ' 111' ' ' LYS . 3.8 pt20 -64.6 -29.85 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.581 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.427 ' HE2' ' OE1' ' A' ' 110' ' ' GLN . 73.1 mmtt -86.03 -7.86 58.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.117 0.484 . . . . 0.0 110.541 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.91 15.4 81.68 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.297 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 83.7 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.887 0.375 . . . . 0.0 110.711 -179.777 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.885 0.374 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 27.5 mp0 -58.66 -33.52 70.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.321 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -59.95 -32.11 70.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.44 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.93 -48.17 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.429 ' HD2' HH11 ' B' ' 86' ' ' ARG . 20.6 ttt180 -66.5 -39.51 88.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.066 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.519 ' O ' HG23 ' B' ' 91' ' ' VAL . 3.6 mm-40 -60.03 -37.08 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.44 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.196 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -69.14 -31.42 70.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.761 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -63.99 -30.22 71.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.765 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 87' ' ' GLU . 88.2 t -73.91 -30.43 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.414 0.626 . . . . 0.0 109.642 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' PHE . . . . . 0.41 ' CE1' HG22 ' B' ' 108' ' ' VAL . 19.1 m-85 -76.5 -45.11 32.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.586 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -81.2 105.45 12.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.113 0.482 . . . . 0.0 109.82 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.815 ' HD2' ' HA2' ' A' ' 4' ' ' GLY . 33.5 mttt -93.25 12.13 25.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.994 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' ASP . . . . . 0.548 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 18.8 t70 -122.23 -42.44 2.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.077 0.465 . . . . 0.0 111.886 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.2 43.03 3.59 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.58 -26.56 13.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.308 -0.446 . . . . 0.0 110.46 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.03 10.99 68.23 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.358 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' TYR . . . . . 0.442 ' CD1' ' HB3' ' B' ' 135' ' ' GLN . 70.9 m-85 -110.05 134.06 52.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.561 0.219 . . . . 0.0 110.715 -179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.4 pt -141.11 148.55 21.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.04 148.41 48.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.964 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.66 81.62 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.34 93.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.704 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.56 ' O ' HG23 ' B' ' 108' ' ' VAL . 0.8 OUTLIER -68.52 -36.2 78.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.718 179.69 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 11.0 tp -58.4 -51.21 70.8 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.597 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -65.04 -28.33 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.331 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -65.93 -34.67 78.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.264 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 104' ' ' GLU . 19.9 t -74.12 -43.16 51.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.731 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 91.1 mtp -57.11 -44.6 83.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 2.6 p -73.03 -33.72 65.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -64.62 -34.87 79.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.1 -27.36 68.87 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.371 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.71 20.81 38.95 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -70.53 131.61 44.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -86.89 75.09 9.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.168 0.509 . . . . 0.0 111.74 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -123.78 154.74 39.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.214 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 64.0 p -84.01 154.74 23.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.057 0.456 . . . . 0.0 111.402 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -64.28 -30.23 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.91 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 16.0 mp0 -62.08 -42.16 98.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.772 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' B' ' 124' ' ' MET . 34.3 mt-10 -62.28 -43.32 99.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.375 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 16.2 t -66.19 -39.36 84.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.32 -34.59 74.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.785 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 22.7 mt-10 -73.23 -35.31 66.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.418 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' B' ' 120' ' ' GLU . 44.4 mtt -64.89 -34.8 79.26 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.23 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.633 ' HA ' HD13 ' B' ' 130' ' ' ILE . 93.7 mt -65.34 -25.04 36.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.832 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -92.11 -1.84 56.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.606 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.44 -42.19 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.801 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.88 167.08 11.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.372 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -86.98 85.08 7.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.137 0.494 . . . . 0.0 111.998 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.633 HD13 ' HA ' ' B' ' 125' ' ' ILE . 1.8 mp -87.35 -64.92 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.805 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -95.65 164.5 12.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.4 -8.22 65.44 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 133' ' ' ASP . . . . . 0.601 ' O ' ' HB ' ' A' ' 109' ' ' VAL . 21.7 t70 -117.56 -94.19 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.985 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 134' ' ' GLY . . . . . 0.499 ' HA3' ' HA ' ' A' ' 106' ' ' ARG . . . 155.77 -26.71 0.58 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.361 -0.924 . . . . 0.0 112.857 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 135' ' ' GLN . . . . . 0.442 ' HB3' ' CD1' ' B' ' 99' ' ' TYR . 7.2 mm-40 -143.79 136.58 27.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.845 0.355 . . . . 0.0 111.072 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 17.2 t -107.55 134.09 50.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.043 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -77.35 120.49 22.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.907 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 138' ' ' TYR . . . . . 0.421 ' O ' HG23 ' B' ' 142' ' ' VAL . 0.8 OUTLIER -63.39 -35.08 79.24 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -178.349 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -57.38 -41.33 79.99 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.29 -50.61 70.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.848 0.356 . . . . 0.0 111.429 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -64.69 -34.83 79.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.617 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 142' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 138' ' ' TYR . 71.6 t -63.16 -45.59 98.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.31 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -66.3 -39.56 89.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.779 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 144' ' ' MET . . . . . 0.408 ' O ' ' HG3' ' B' ' 148' ' ' LYS . 98.8 mtp -62.84 -47.56 82.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.22 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 19.4 ptp -69.09 -19.0 64.05 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.3 p -92.06 -7.18 49.44 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.859 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -116.55 23.5 11.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.087 0.47 . . . . 0.0 110.984 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 148' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 144' ' ' MET . 66.0 mttm . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.669 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.805 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -56.15 25.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.084 0.469 . . . . 0.0 110.999 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -68.34 -36.06 78.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.656 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -63.38 -41.62 98.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.208 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 tpt -62.42 -44.61 96.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.985 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.91 -39.8 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.866 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.27 -42.99 87.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.54 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -67.2 -37.07 83.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.0 110.518 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -60.92 -52.8 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.26 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 p -68.22 -30.94 70.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.892 0.377 . . . . 0.0 111.105 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -64.27 -35.63 81.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.992 0.425 . . . . 0.0 110.372 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 -27.27 58.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.642 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.1 mmt -82.12 -22.36 36.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.265 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 t -92.03 -2.07 56.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.195 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -67.33 -25.1 65.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.069 0.461 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -94.25 4.51 53.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.287 0.565 . . . . 0.0 110.386 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.404 ' HE2' ' HG2' ' A' ' 44' ' ' LYS . 9.5 m-85 -118.21 101.54 8.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.57 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 23.9 mm-40 -70.25 158.26 36.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.412 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 52.7 t60 79.92 -47.39 0.34 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.738 -178.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 t -72.71 97.03 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.975 0.416 . . . . 0.0 110.243 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -107.04 100.64 10.12 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.119 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.465 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 65.5 mt -78.4 106.97 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.995 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -100.51 -45.65 5.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.476 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -146.64 166.96 24.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.381 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.401 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 62.7 m-85 -79.54 55.04 1.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.9 0.381 . . . . 0.0 111.123 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.574 ' HA ' ' HG2' ' A' ' 92' ' ' PRO . 33.2 t -162.38 -71.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.872 0.368 . . . . 0.0 111.299 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -48.31 74.12 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' A' ' 25' ' ' ILE . 1.8 m -76.68 -1.32 27.21 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.401 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.1 m95 -115.51 13.51 16.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.778 0.323 . . . . 0.0 110.245 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.1 p -66.45 -44.32 83.12 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.73 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.75 ' HB2' ' HG2' ' A' ' 36' ' ' MET . 0.0 OUTLIER -83.15 -16.04 48.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.162 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.418 ' HA2' ' HD2' ' A' ' 38' ' ' PHE . . . 80.39 -2.78 75.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.858 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.75 ' HG2' ' HB2' ' A' ' 34' ' ' SER . 80.9 mmm -56.54 -37.92 71.16 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.823 0.345 . . . . 0.0 111.153 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.88 -35.23 76.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.444 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.418 ' HD2' ' HA2' ' A' ' 35' ' ' GLY . 62.7 m-85 -64.95 -53.27 48.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.3 m -59.5 -40.35 86.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.005 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.46 81.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.09 -46.24 89.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.265 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.8 mm -63.38 -44.4 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.968 0.413 . . . . 0.0 110.647 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -66.41 -25.98 67.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.606 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -68.01 -26.18 65.76 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.699 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.61 ' HB3' HD13 ' A' ' 113' ' ' LEU . 85.4 m-85 -109.17 -29.55 8.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.517 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -116.83 89.0 27.63 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.853 0.359 . . . . 0.0 110.272 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.88 -22.48 56.07 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.803 2.336 . . . . 0.0 112.188 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -97.03 10.67 38.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.975 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.71 -62.36 1.48 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.147 0.499 . . . . 0.0 110.515 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -162.96 167.4 22.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.41 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.684 ' HB3' ' HB2' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -94.09 110.76 22.45 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.776 0.322 . . . . 0.0 110.99 -179.502 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -71.51 -31.56 67.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.071 0.463 . . . . 0.0 110.341 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.57 -20.61 64.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.165 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.684 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 0.6 OUTLIER -94.17 -2.76 52.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.885 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.7 mt -83.08 165.91 19.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.854 0.359 . . . . 0.0 111.188 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -154.36 141.18 13.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -50.26 -23.77 10.47 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.554 2.836 . . . . 0.0 113.74 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.19 67.77 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.122 0.487 . . . . 0.0 110.769 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -94.84 28.51 2.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.233 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -51.29 -42.36 61.09 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.51 -28.47 67.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.11 -19.64 21.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.592 0.234 . . . . 0.0 111.569 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -58.39 -46.39 86.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.603 ' HB2' HG13 ' A' ' 83' ' ' VAL . 80.3 m-85 -59.81 -46.03 90.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.901 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -50.47 73.04 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.9 tp -56.45 -47.61 78.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.258 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.71 -52.16 64.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.567 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -65.22 -57.23 9.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.1 m -55.21 -43.6 74.6 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.2 m -68.16 -39.04 82.7 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.593 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.53 95.12 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -67.4 -16.75 64.41 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.106 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -95.11 -41.46 9.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.855 0.36 . . . . 0.0 111.236 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.6 mt -80.87 -48.25 12.64 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -108.61 -23.64 11.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.0 t0 68.13 68.76 0.33 Allowed 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.838 0.711 . . . . 0.0 111.093 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.6 p -88.26 166.1 14.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.686 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.4 128.42 33.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.444 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -78.19 68.9 4.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.393 0.616 . . . . 0.0 110.947 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.4 mt -88.91 -4.39 58.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.373 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.7 mt -119.27 126.32 51.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.784 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.76 129.18 34.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.675 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.603 HG13 ' HB2' ' A' ' 64' ' ' PHE . 49.1 t -63.86 -68.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.404 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -57.57 -39.51 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.087 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -60.25 -41.81 93.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.709 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 80.7 mtp -71.26 -32.66 68.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.734 0.302 . . . . 0.0 110.811 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 83' ' ' VAL . 90.3 t -62.8 -51.32 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.253 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -68.22 -38.42 81.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.812 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.45 -45.03 81.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.562 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.81 -43.75 0.57 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.743 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 36.7 t -106.13 100.99 31.82 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.574 ' HG2' ' HA ' ' A' ' 29' ' ' SER . 77.9 Cg_endo -79.98 170.55 16.44 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.47 2.113 . . . . 0.0 111.817 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -99.41 135.83 40.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.437 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.5 m -60.03 -29.88 68.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.243 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.415 ' HG2' ' OD2' ' B' ' 95' ' ' ASP . 8.3 tmtm? -67.06 -41.65 86.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.233 0.54 . . . . 0.0 110.35 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.1 m -71.86 -39.9 69.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.602 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' ILE . 59.0 t -65.76 -45.68 91.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.491 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -55.71 -45.37 77.89 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 48.3 m -57.63 -43.49 84.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.477 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -68.6 -47.5 66.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.079 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 97' ' ' VAL . 44.4 mm -59.76 -39.92 81.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.08 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -60.33 -50.52 73.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.297 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.37 -35.38 80.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.672 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.43 -38.98 92.93 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.513 ' O ' HG23 ' A' ' 109' ' ' VAL . 23.2 t80 -67.85 -31.21 70.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.726 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.756 ' HD3' ' HB2' ' B' ' 135' ' ' GLN . 8.8 mtm180 -57.51 -44.51 85.08 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.745 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -73.7 -35.24 65.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.481 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.79 -31.41 72.38 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.535 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 105' ' ' TYR . 79.6 t -65.78 -52.87 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.39 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.509 ' HG2' ' H ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -65.46 -35.08 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.408 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -70.8 -30.35 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.114 0.483 . . . . 0.0 110.487 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.16 28.44 60.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.533 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.61 HD13 ' HB3' ' A' ' 45' ' ' PHE . 23.7 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.918 0.39 . . . . 0.0 111.456 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.437 0.636 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.29 -34.3 70.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.02 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' B' ' 84' ' ' GLU . 28.4 mp0 -60.42 -35.88 76.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.53 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.2 mt -70.19 -43.13 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.056 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -64.29 -41.07 97.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.295 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.456 ' O ' HG23 ' B' ' 91' ' ' VAL . 96.7 mt-10 -64.14 -37.35 87.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.67 90.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.989 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -66.55 -33.46 75.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.339 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -69.72 -14.15 62.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.728 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 87' ' ' GLU . 72.6 t -69.87 -33.47 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -86.91 -15.21 39.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.135 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -92.64 100.79 13.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -74.36 26.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' ASP . . . . . 0.415 ' OD2' ' HG2' ' A' ' 95' ' ' LYS . 25.6 t70 -159.03 -42.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.992 0.425 . . . . 0.0 111.454 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.89 54.49 0.92 Allowed Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -104.7 -32.49 8.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.767 0.318 . . . . 0.0 111.477 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' GLY . . . . . 0.61 ' HA2' ' CZ ' ' B' ' 138' ' ' TYR . . . 107.67 15.19 15.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.567 -0.825 . . . . 0.0 113.741 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -127.54 128.56 45.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.195 0.498 . . . . 0.0 111.626 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.701 HG12 ' HD2' ' B' ' 138' ' ' TYR . 20.6 pt -136.6 -179.78 3.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.433 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.67 153.77 34.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.229 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.67 -36.43 84.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.23 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.02 -46.6 80.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.138 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.526 ' O ' HG23 ' B' ' 108' ' ' VAL . 1.3 mp0 -61.41 -42.37 98.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.108 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 35.4 tp -53.51 -51.71 61.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.741 ' HD3' HD11 ' B' ' 125' ' ' ILE . 61.9 mtm180 -66.65 -36.27 82.16 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.188 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -64.52 -40.21 95.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.14 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 104' ' ' GLU . 78.4 t -67.71 -41.92 85.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.906 0.384 . . . . 0.0 110.145 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.27 -42.27 90.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.503 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.82 -35.71 62.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.0 0.428 . . . . 0.0 110.717 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -64.6 -31.28 72.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 108' ' ' VAL . 86.8 mt -67.66 -19.4 65.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.182 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.67 22.59 33.33 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.203 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -68.47 132.29 46.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.959 0.409 . . . . 0.0 110.595 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' B' ' 115' ' ' LYS . 19.2 mtmt -92.62 63.37 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.029 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.429 HD23 ' H ' ' B' ' 116' ' ' LEU . 2.3 pt? -118.48 141.17 48.83 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.966 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' THR . . . . . 0.435 ' O ' HG23 ' B' ' 121' ' ' VAL . 57.7 p -73.31 158.58 34.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.864 0.364 . . . . 0.0 111.079 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -30.67 69.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -62.61 -43.11 99.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.175 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.61 -38.81 90.5 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.531 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 117' ' ' THR . 14.1 t -65.54 -44.96 93.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -59.11 -41.69 88.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.401 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -61.92 -44.46 96.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.522 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 69.0 mtt -62.6 -36.08 81.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.705 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.741 HD11 ' HD3' ' B' ' 106' ' ' ARG . 96.8 mt -62.48 -43.23 98.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.735 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -75.93 -14.55 60.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.916 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -87.8 -8.16 56.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.479 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -128.94 -176.05 3.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.718 0.294 . . . . 0.0 111.138 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -91.41 96.25 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.422 0.63 . . . . 0.0 110.529 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' B' ' 125' ' ' ILE . 58.2 mt -132.64 -59.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.214 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.42 108.38 13.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.602 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 115.61 -6.76 20.43 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.13 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 133' ' ' ASP . . . . . 0.639 ' OD2' ' HD2' ' A' ' 106' ' ' ARG . 2.9 t70 -108.42 -160.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.778 0.289 . . . . 0.0 110.821 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -113.3 -38.19 1.25 Allowed Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.719 -0.753 . . . . 0.0 113.672 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 135' ' ' GLN . . . . . 0.756 ' HB2' ' HD3' ' A' ' 106' ' ' ARG . 15.5 mm-40 -139.79 156.38 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.014 0.407 . . . . 0.0 110.163 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 24.9 t -116.2 130.46 70.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.32 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 137' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 0.8 OUTLIER -80.13 118.17 21.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.476 178.715 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 138' ' ' TYR . . . . . 0.701 ' HD2' HG12 ' B' ' 100' ' ' ILE . 7.9 p90 -78.64 -22.82 46.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.45 -41.58 89.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 111.126 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -57.86 -45.22 86.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.891 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -64.06 -37.25 86.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.384 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 142' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 138' ' ' TYR . 95.5 t -62.96 -44.82 99.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -68.48 -33.86 74.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.841 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 65.1 mtp -68.66 -40.69 80.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.369 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 20.5 ptp -78.69 -12.96 60.04 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.7 p -94.69 -26.41 16.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.932 0.396 . . . . 0.0 111.208 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.7 -12.88 59.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.981 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 54.4 mttm . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.582 -179.676 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.673 ' HA2' ' HG3' ' B' ' 94' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.444 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p -71.52 -28.42 63.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.782 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -65.49 -36.6 84.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.328 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -63.49 -29.4 70.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.441 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.9 tpt -66.98 -46.09 75.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.22 -37.31 72.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.976 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.4 tp -60.19 -50.43 73.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.63 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -63.49 -45.98 88.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.31 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -55.86 -49.93 72.0 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.1 t -68.02 -47.17 69.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.425 ' HA ' HD12 ' A' ' 25' ' ' ILE . 33.1 ttm180 -55.54 -42.81 75.14 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.17 99.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.9 ttm -80.37 -37.02 33.13 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -76.59 -10.31 59.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.742 0.306 . . . . 0.0 111.154 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -60.85 -23.31 65.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.454 0.645 . . . . 0.0 110.231 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -68.63 -24.79 64.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.0 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.47 ' CE2' ' HD3' ' A' ' 44' ' ' LYS . 57.1 m-85 -92.64 120.9 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.05 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 22.1 mp0 -78.43 151.85 32.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.096 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.434 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 12.5 t-80 74.92 -10.05 1.27 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.637 0.586 . . . . 0.0 111.711 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.8 t -110.72 84.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.184 0.516 . . . . 0.0 110.2 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.35 153.22 18.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.132 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 14' ' ' ARG . 44.5 mt -120.01 107.64 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.941 0.4 . . . . 0.0 111.26 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -92.38 -58.54 2.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.683 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -150.36 167.94 25.57 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.457 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 74.8 m-85 -77.88 50.22 0.84 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.845 0.355 . . . . 0.0 111.309 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 m -152.47 -79.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.674 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -60.99 -47.5 86.15 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -11.26 58.13 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.457 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 61.0 m95 -104.74 -3.39 23.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.635 0.255 . . . . 0.0 111.544 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.3 m -69.11 -21.45 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.134 0.492 . . . . 0.0 110.943 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.1 p -82.44 -22.23 35.34 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.374 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.485 ' HA2' ' HD2' ' A' ' 38' ' ' PHE . . . 77.69 -9.78 27.98 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.758 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.9 mmm -66.45 -25.57 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 111.78 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.15 71.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.051 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.485 ' HD2' ' HA2' ' A' ' 35' ' ' GLY . 75.9 m-85 -63.48 -55.83 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.976 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.514 ' SG ' ' HE1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -65.77 -31.55 72.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.767 -179.341 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.64 -49.85 75.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.869 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.2 tp -64.36 -40.14 95.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 38' ' ' PHE . 47.8 mm -64.76 -47.37 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -68.82 -27.44 65.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.337 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.47 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 40.5 tptt -64.54 -30.8 71.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -96.74 -43.29 7.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -112.75 101.1 52.41 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.94 -35.15 15.81 Favored 'Trans proline' 0 CA--C 1.527 0.16 0 C-N-CA 122.977 2.451 . . . . 0.0 112.357 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -80.65 3.62 21.42 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.01 -56.88 13.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.896 0.379 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -171.34 165.32 7.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.018 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.404 ' HB2' ' HG2' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -88.1 101.48 13.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.233 0.54 . . . . 0.0 110.654 179.456 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.514 ' HE1' ' SG ' ' A' ' 39' ' ' CYS . 48.9 t80 -65.32 -32.99 74.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.259 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.3 -10.05 57.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.23 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' HG2' ' HB2' ' A' ' 51' ' ' ASP . 69.8 mm-40 -105.06 9.37 34.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.58 0.229 . . . . 0.0 111.395 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 68.9 mt -87.36 151.0 23.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.792 0.329 . . . . 0.0 111.402 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.593 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 16.2 m-20 -125.88 147.28 58.34 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.422 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.465 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 29.2 Cg_endo -64.91 -25.93 59.51 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.66 2.24 . . . . 0.0 111.484 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.98 -6.3 55.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.496 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.593 ' HD2' ' HB2' ' A' ' 56' ' ' ASP . 81.6 mttt -110.86 26.49 10.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.314 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 57' ' ' PRO . 43.2 mtm180 -56.43 -36.77 69.36 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.988 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -58.73 -42.92 89.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.102 0.477 . . . . 0.0 110.36 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -34.73 57.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.494 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -57.24 -48.01 79.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.487 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.538 ' HB2' HG13 ' A' ' 83' ' ' VAL . 30.1 m-85 -58.69 -49.23 78.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.8 0.333 . . . . 0.0 110.779 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.9 m -61.55 -45.02 95.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.419 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.4 tp -56.25 -46.34 79.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.483 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.02 -49.03 71.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.447 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -65.76 -43.87 87.6 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.1 p -63.86 -54.1 40.24 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.4 m -59.54 -36.74 76.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.554 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.91 97.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 0.0 110.042 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -71.86 -32.73 67.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.519 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -74.65 -17.31 60.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.454 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.2 mt -106.21 -45.93 4.19 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.09 9.97 7.48 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 50.24 54.27 11.4 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.207 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 57.9 m -67.15 140.07 57.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.696 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.5 139.22 58.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.023 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -77.05 80.4 3.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.962 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 100' ' ' TYR . 44.4 mt -96.48 1.07 51.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.194 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.5 mt -144.34 142.73 30.58 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.142 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -106.24 140.88 38.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 64' ' ' PHE . 53.0 t -64.25 -52.25 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.415 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.88 -51.71 68.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.795 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -58.55 -38.56 78.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.644 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -40.53 96.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.336 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 83' ' ' VAL . 40.5 t -74.49 -32.73 30.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.295 0.569 . . . . 0.0 109.948 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 88' ' ' ARG . 14.4 ttp85 -69.15 -54.59 14.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.1 mt -74.02 -33.64 63.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.593 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.81 -58.71 0.58 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.319 0.648 . . . . 0.0 111.306 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.2 t -98.44 111.06 59.02 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -77.41 161.74 31.35 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.683 2.256 . . . . 0.0 112.37 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.4 150.69 24.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.697 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -61.56 -37.1 82.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -62.69 -44.48 96.12 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.824 0.345 . . . . 0.0 111.243 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.9 m -61.21 -33.42 73.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.73 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 20.9 t -83.73 -39.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.95 0.405 . . . . 0.0 110.145 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -56.17 -51.85 66.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.227 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.464 HG23 HD13 ' A' ' 80' ' ' LEU . 7.1 t -66.82 -27.01 67.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.804 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.531 ' HA ' HD12 ' A' ' 80' ' ' LEU . 37.4 t80 -73.76 -47.72 36.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.906 0.384 . . . . 0.0 110.42 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.9 mm -68.14 -33.96 63.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -57.1 -52.88 63.5 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.289 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -67.4 -35.49 79.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.245 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 60.1 tp -62.98 -46.46 87.58 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.51 ' O ' HG23 ' A' ' 109' ' ' VAL . 60.7 t80 -59.3 -42.79 92.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.008 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.592 ' HA ' ' HA3' ' B' ' 134' ' ' GLY . 6.2 ttm-85 -60.75 -38.34 84.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.394 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.7 m -70.13 -27.76 64.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.754 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 43.3 mt -82.08 -29.18 31.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.644 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 105' ' ' TYR . 76.8 t -65.33 -51.42 64.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.9 0.381 . . . . 0.0 110.818 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.47 -11.87 58.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.561 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.482 ' HB3' ' HG ' ' A' ' 113' ' ' LEU . 37.0 mmtt -99.29 -8.3 25.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.699 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 68.2 14.21 65.91 Favored Glycine 0 C--O 1.228 -0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.741 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.482 ' HG ' ' HB3' ' A' ' 111' ' ' LYS . 76.6 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.934 0.397 . . . . 0.0 111.475 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -55.2 -35.94 65.4 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.941 0.4 . . . . 0.0 111.272 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -58.7 -41.32 86.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.972 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 34.9 mt -64.68 -44.9 96.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.034 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.634 ' HG3' ' HE2' ' B' ' 138' ' ' TYR . 31.3 ttt180 -62.95 -40.45 97.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.136 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.508 ' O ' HG23 ' B' ' 91' ' ' VAL . 18.3 mm-40 -64.75 -45.56 85.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.42 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.79 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.573 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -66.22 -32.25 73.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.841 0.353 . . . . 0.0 110.971 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -72.8 -22.37 60.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.737 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 87' ' ' GLU . 92.5 t -65.34 -33.31 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.105 0.478 . . . . 0.0 110.453 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -73.33 -30.43 63.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.136 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -72.92 110.77 7.47 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.673 ' HG3' ' HA2' ' A' ' 4' ' ' GLY . 55.0 mmtt -85.31 23.57 1.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -150.27 -41.87 0.13 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.969 0.414 . . . . 0.0 111.348 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.42 64.43 0.7 Allowed Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.0 -33.67 3.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.573 0.225 . . . . 0.0 110.932 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.08 12.1 32.51 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.392 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' B' ' 135' ' ' GLN . 10.3 m-85 -119.47 116.54 26.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.726 0.298 . . . . 0.0 110.874 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.444 HD11 HD12 ' B' ' 105' ' ' LEU . 25.0 pt -125.47 172.29 13.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.847 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.72 146.41 26.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.579 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.09 83.25 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.83 -44.04 97.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.536 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.523 ' O ' HG23 ' B' ' 108' ' ' VAL . 1.7 mp0 -68.34 -34.33 75.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.83 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.444 HD12 HD11 ' B' ' 100' ' ' ILE . 0.9 OUTLIER -61.63 -46.45 89.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.053 0.454 . . . . 0.0 110.306 179.117 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.507 ' HD3' HD11 ' B' ' 125' ' ' ILE . 45.1 mtm180 -66.44 -29.86 70.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.051 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -65.52 -34.37 78.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.557 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.523 HG23 ' O ' ' B' ' 104' ' ' GLU . 41.9 t -70.17 -43.89 78.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.955 0.407 . . . . 0.0 110.107 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.3 -43.79 92.57 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.563 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.04 -28.97 64.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.173 0.511 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -71.83 -44.56 63.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.755 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.64 -31.8 73.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.282 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.53 42.72 3.59 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.446 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -77.08 125.12 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -79.7 64.57 4.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.097 0.475 . . . . 0.0 111.513 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 7.5 tp -119.57 146.21 45.7 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.495 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 60.5 p -79.74 150.49 30.8 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 121.114 -0.234 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.33 -33.15 67.43 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.223 0.535 . . . . 0.0 110.131 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -64.1 -41.84 97.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.448 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -66.57 -39.58 88.55 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.987 0.423 . . . . 0.0 110.392 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.34 -42.6 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.459 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -37.61 86.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.329 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.45 -44.11 97.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.46 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' MET . . . . . 0.434 ' HE2' ' HD2' ' B' ' 148' ' ' LYS . 62.0 mtt -63.95 -39.38 94.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.761 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.693 HG23 HG13 ' B' ' 130' ' ' ILE . 37.8 mt -59.66 -38.88 77.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.573 178.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 126' ' ' ARG . 32.9 mtt180 -73.36 -24.35 60.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.969 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -87.01 -22.37 25.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.67 0.272 . . . . 0.0 111.399 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.31 177.09 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.922 0.391 . . . . 0.0 111.193 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -87.53 90.14 8.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.693 HG13 HG23 ' B' ' 125' ' ' ILE . 41.7 mm -108.73 -90.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -82.44 115.47 21.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.628 0.251 . . . . 0.0 110.573 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 123.27 -18.93 7.75 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.377 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -96.15 -83.23 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.845 0.323 . . . . 0.0 111.346 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 134' ' ' GLY . . . . . 0.592 ' HA3' ' HA ' ' A' ' 106' ' ' ARG . . . 148.05 -37.07 1.1 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.405 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 135' ' ' GLN . . . . . 0.529 ' HG2' ' HB2' ' A' ' 106' ' ' ARG . 72.4 mm-40 -127.12 129.56 48.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.745 0.273 . . . . 0.0 110.35 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 46.3 t -101.64 126.82 55.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.968 0.413 . . . . 0.0 111.443 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -83.42 129.27 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.237 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 138' ' ' TYR . . . . . 0.634 ' HE2' ' HG3' ' B' ' 86' ' ' ARG . 16.6 p90 -72.51 -39.94 67.21 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -60.76 -35.84 77.41 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -52.75 -54.39 34.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.561 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -66.32 -35.14 79.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.792 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 142' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 138' ' ' TYR . 81.1 t -61.35 -47.25 94.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.2 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -69.56 -29.72 67.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.585 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 93.0 mtp -70.96 -41.3 71.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.772 0.32 . . . . 0.0 110.719 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 20.2 ptp -76.78 -23.14 52.91 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 2.4 p -81.26 -23.2 38.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.815 0.341 . . . . 0.0 111.85 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -90.23 -0.65 57.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.599 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 148' ' ' LYS . . . . . 0.434 ' HD2' ' HE2' ' B' ' 124' ' ' MET . 66.0 mttm . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.823 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 120.334 -0.148 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.629 ' HB3' ' HE3' ' B' ' 94' ' ' LYS . 12.7 t -69.41 -77.54 0.08 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.625 0.25 . . . . 0.0 110.848 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.525 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 35.5 ttmt -62.78 -33.19 74.66 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.076 0.465 . . . . 0.0 110.607 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -61.07 -38.56 86.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.995 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.4 tpt -58.9 -49.36 78.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.515 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 98' ' ' TYR . 23.5 mt -63.55 -30.65 71.74 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.85 -47.79 73.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.073 0.463 . . . . 0.0 109.959 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -70.55 -36.07 73.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.107 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -56.83 -54.15 49.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.641 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.2 p -68.15 -37.88 81.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.199 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.1 ttp85 -62.34 -42.17 99.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.65 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.51 -31.2 70.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.178 0.513 . . . . 0.0 110.958 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.5 mmt -74.07 -22.54 59.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.775 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.43 HG22 ' HB2' ' A' ' 20' ' ' TYR . 1.8 m -102.33 12.68 36.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.443 0.64 . . . . 0.0 110.506 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -69.88 -25.35 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -92.98 21.0 6.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.26 0.552 . . . . 0.0 110.905 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.43 ' HB2' HG22 ' A' ' 17' ' ' THR . 40.5 m-85 -119.59 152.9 36.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.92 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -108.08 149.06 28.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.445 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . 0.257 0.0 OUTLIER 65.18 -2.19 0.79 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.7 t -113.16 86.57 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.229 0.538 . . . . 0.0 110.008 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -105.84 108.67 20.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.392 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.8 mt -82.44 98.83 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.201 0.524 . . . . 0.0 110.683 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -100.04 -37.21 9.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.83 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -138.95 166.1 25.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -88.63 33.97 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 111.538 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.2 m -148.35 -60.41 0.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.181 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -50.71 71.43 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 m -78.1 0.88 23.04 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -117.78 9.08 12.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 0.0 111.383 -179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 p -66.27 -42.88 87.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.317 0.58 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 p -81.94 -15.24 54.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.754 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.97 4.86 78.74 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.145 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mmt -62.43 -37.01 84.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.719 0.295 . . . . 0.0 111.065 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.91 76.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.473 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -61.86 -53.04 61.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.169 0.509 . . . . 0.0 109.791 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.0 m -62.34 -40.04 95.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.264 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.86 97.96 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.3 tp -66.72 -48.25 69.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.337 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.62 -39.67 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.053 0.454 . . . . 0.0 110.579 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -65.76 -23.15 66.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.595 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -73.14 -22.55 60.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 111.212 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -107.43 -36.31 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.869 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -116.92 99.81 53.09 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.768 0.318 . . . . 0.0 111.113 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -73.06 -26.18 15.33 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.968 2.446 . . . . 0.0 112.031 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -88.52 -1.31 57.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.397 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.568 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -64.41 -68.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.938 0.399 . . . . 0.0 111.127 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -160.15 159.25 31.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.126 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -89.7 105.06 17.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.056 0.455 . . . . 0.0 110.636 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -65.06 -32.98 74.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.395 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.69 -19.92 66.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.15 8.34 42.75 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.099 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.8 mt -86.94 134.41 33.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.95 0.405 . . . . 0.0 111.276 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -115.6 134.38 22.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.511 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -54.82 -21.43 25.83 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.062 2.508 . . . . 0.0 112.647 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.32 -23.51 67.32 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.988 0.423 . . . . 0.0 110.536 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -99.24 31.43 3.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.977 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -54.89 -39.46 68.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.565 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -13.58 60.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.937 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -105.23 -19.6 13.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.041 0.448 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -41.56 99.3 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.709 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.723 ' HB2' HG13 ' A' ' 83' ' ' VAL . 58.5 m-85 -60.47 -47.44 86.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.749 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.53 -45.98 91.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.717 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.01 -49.17 77.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.786 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.96 65.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.449 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -62.46 -56.61 16.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.3 m -53.92 -40.1 66.4 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.568 HG21 ' HB1' ' A' ' 49' ' ' ALA . 19.4 m -68.88 -44.03 74.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.407 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.43 -35.48 80.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.129 0.49 . . . . 0.0 110.197 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.64 -16.5 62.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.094 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -101.16 -45.97 5.21 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.4 mt -80.67 -37.14 31.38 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.79 -9.54 13.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.4 t70 57.59 51.69 9.26 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.488 0.661 . . . . 0.0 110.658 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.6 p -79.6 145.1 33.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.966 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.89 125.59 29.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.785 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.92 85.5 1.27 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.526 0.679 . . . . 0.0 111.932 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.2 mt -87.8 4.9 42.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.817 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.0 mt -142.28 144.42 33.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.32 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 85' ' ' ASP . 13.2 mt-10 -99.39 128.5 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.189 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.723 HG13 ' HB2' ' A' ' 64' ' ' PHE . 88.9 t -52.26 -57.37 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.797 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.57 -39.73 81.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.732 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.564 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 2.0 t0 -62.3 -41.0 98.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.008 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.443 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 85.1 mtp -68.69 -31.69 70.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.972 0.415 . . . . 0.0 110.658 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 83' ' ' VAL . 93.8 t -70.63 -46.9 67.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.418 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -68.75 -44.15 74.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.334 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.99 -32.03 63.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.568 0.223 . . . . 0.0 111.321 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 74.89 -51.57 0.67 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.38 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.3 t -98.74 112.29 62.34 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.722 0.296 . . . . 0.0 110.788 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -82.24 137.75 9.62 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.669 2.246 . . . . 0.0 111.575 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.485 ' HB2' ' SG ' ' A' ' 96' ' ' CYS . 4.4 m-20 -64.63 132.03 48.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.186 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.8 m -57.24 -36.05 70.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.576 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -62.07 -54.19 44.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 93' ' ' ASP . 11.7 m -57.7 -41.49 81.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.57 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' ILE . 88.5 t -65.76 -45.08 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.961 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.53 ' CE1' HD12 ' A' ' 9' ' ' LEU . 89.2 t80 -59.81 -47.91 83.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.844 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.0 m -57.11 -42.04 80.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -64.59 -46.48 82.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.437 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 97' ' ' VAL . 46.6 mm -65.47 -37.6 80.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -58.74 -47.34 84.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.384 . . . . 0.0 111.12 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -72.45 -36.13 68.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.537 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.27 -33.23 75.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.309 0.576 . . . . 0.0 109.881 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.508 ' O ' HG23 ' A' ' 109' ' ' VAL . 50.0 t80 -62.0 -34.22 75.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.133 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -61.27 -46.21 91.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.545 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -61.15 -31.08 70.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.0 mt -75.99 -27.27 57.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 105' ' ' TYR . 96.2 t -70.86 -51.14 38.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.147 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -65.25 -25.54 67.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.596 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.471 ' HB3' ' HG ' ' A' ' 113' ' ' LEU . 13.2 tptp -83.26 -6.23 59.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.377 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.59 27.6 73.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.524 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.471 ' HG ' ' HB3' ' A' ' 111' ' ' LYS . 96.7 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 120.746 0.307 . . . . 0.0 111.577 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 121.043 0.449 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' B' ' 87' ' ' GLU . 58.2 mp0 -63.95 -35.02 79.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.848 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -58.16 -30.81 66.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.933 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 86.9 mt -67.92 -48.16 76.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.701 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 86' ' ' ARG . 21.1 ttt180 -66.71 -37.67 85.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.614 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.457 ' O ' HG23 ' B' ' 91' ' ' VAL . 63.1 mt-10 -60.21 -33.38 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.05 -41.62 58.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.044 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.446 ' HE1' HD12 ' B' ' 105' ' ' LEU . 18.6 m-85 -65.56 -35.43 80.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.18 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 90' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' B' ' 90' ' ' ARG . 8.5 ttt180 -66.74 -19.38 65.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.435 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 87' ' ' GLU . 95.2 t -71.12 -33.69 52.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.978 0.418 . . . . 0.0 110.049 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' PHE . . . . . 0.418 ' CE1' HG22 ' B' ' 108' ' ' VAL . 27.5 m-85 -74.77 -26.37 59.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.1 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -80.92 139.39 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.629 ' HE3' ' HB3' ' A' ' 5' ' ' SER . 0.2 OUTLIER -112.34 8.18 19.52 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.54 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -139.85 -34.35 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.784 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.17 35.87 3.53 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -88.91 -29.47 19.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.502 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' GLY . . . . . 0.436 ' HA2' ' CE2' ' B' ' 138' ' ' TYR . . . 89.05 20.69 45.16 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.394 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 99' ' ' TYR . . . . . 0.486 ' CE1' ' HB3' ' B' ' 137' ' ' ASN . 47.0 m-85 -128.74 127.11 41.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.757 0.313 . . . . 0.0 111.683 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.0 pt -134.82 179.59 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.952 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 43.0 p -91.99 166.48 12.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.747 0.308 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.48 -34.59 76.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.403 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.35 84.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.112 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.527 ' O ' HG23 ' B' ' 108' ' ' VAL . 2.6 mp0 -69.1 -47.95 63.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.536 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.446 HD12 ' HE1' ' B' ' 89' ' ' PHE . 6.6 tp -51.54 -48.36 63.06 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.39 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -28.95 69.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.913 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -77.51 -26.76 51.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.132 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 104' ' ' GLU . 11.6 t -69.3 -42.68 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 96.2 mtp -59.82 -42.38 93.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.105 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -43.8 72.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.734 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -66.96 -21.22 65.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.43 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.89 -16.41 61.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.44 11.99 43.03 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.321 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -69.81 137.22 51.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.902 0.382 . . . . 0.0 110.42 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -100.16 16.24 24.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.336 0.589 . . . . 0.0 110.214 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 tp -68.9 134.89 50.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.945 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 39.4 p -70.96 157.39 38.27 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.035 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -58.99 -35.53 73.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.234 0.54 . . . . 0.0 109.69 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 2.7 mp0 -61.42 -43.72 98.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.521 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -63.16 -35.49 80.46 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.973 0.416 . . . . 0.0 110.624 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 39.0 t -74.36 -39.24 48.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' B' ' 126' ' ' ARG . 37.4 t70 -58.27 -37.53 75.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.063 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 123' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 52.2 mt-10 -62.48 -41.48 98.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.342 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mtt -66.77 -37.63 84.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.269 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.712 HG23 HD12 ' B' ' 130' ' ' ILE . 95.3 mt -64.72 -30.27 49.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.245 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 91.7 mtt-85 -84.56 -0.66 54.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.844 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 127' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' B' ' 123' ' ' GLU . 45.3 mt-10 -115.36 11.46 16.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.96 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -139.57 159.19 42.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.654 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -76.66 93.38 3.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.755 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.712 HD12 HG23 ' B' ' 125' ' ' ILE . 30.3 mt -126.52 -63.94 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.801 0.334 . . . . 0.0 111.086 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -71.48 108.71 5.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.763 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 105.51 12.63 26.24 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.55 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -117.4 -84.13 0.64 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.526 -0.397 . . . . 0.0 111.59 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 159.9 -50.99 0.37 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.853 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -143.72 149.79 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.898 0.349 . . . . 0.0 111.213 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -119.99 146.39 24.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.128 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 137' ' ' ASN . . . . . 0.486 ' HB3' ' CE1' ' B' ' 99' ' ' TYR . 27.3 p-10 -94.28 133.91 37.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.058 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 138' ' ' TYR . . . . . 0.436 ' CE2' ' HA2' ' B' ' 98' ' ' GLY . 43.8 p90 -69.36 -17.2 63.67 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -54.06 -53.18 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.564 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -60.73 -48.26 82.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -60.0 -42.92 95.3 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.42 -42.4 93.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -67.58 -37.92 83.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.207 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 82.9 mtp -67.79 -43.38 79.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.32 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 19.8 ptp -71.69 -18.31 62.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.8 p -91.46 -17.43 25.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.813 0.34 . . . . 0.0 111.263 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.15 -0.05 50.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.561 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 40.0 mttm . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.867 179.53 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.49 ' HA3' ' HD2' ' B' ' 94' ' ' LYS . . . . . . . . 0 N--CA 1.444 -0.798 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -27.34 69.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.99 0.424 . . . . 0.0 111.499 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.541 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 23.0 ptmt -63.92 -19.02 64.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.023 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -67.23 -30.21 70.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.96 0.41 . . . . 0.0 110.695 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.3 tpt -64.02 -52.95 57.08 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.324 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.462 HD12 ' CE1' ' A' ' 98' ' ' TYR . 40.6 mt -67.18 -34.32 77.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.22 -50.2 74.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.446 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -66.67 -43.53 84.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.62 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -61.28 -49.24 77.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.514 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.7 t -66.82 -41.96 86.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.652 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -64.08 -34.79 78.84 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.875 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.39 -16.72 64.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.227 0.537 . . . . 0.0 110.872 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.8 mmt -93.33 -39.06 11.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.693 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 p -77.81 -22.92 49.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.763 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -10.75 27.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.044 0.45 . . . . 0.0 111.41 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -81.36 -11.36 59.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.411 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -104.55 -169.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.307 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -135.08 150.76 50.3 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 74.51 -12.56 0.89 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.086 0.47 . . . . 0.0 110.829 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.1 t -115.65 90.43 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.069 0.461 . . . . 0.0 111.317 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -118.31 133.54 55.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.792 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.6 mt -88.39 104.84 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.249 0.547 . . . . 0.0 111.719 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -103.09 -48.53 4.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.295 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -142.78 145.06 32.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.119 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -61.66 -20.05 62.99 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 m -107.47 -41.17 5.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.773 0.32 . . . . 0.0 111.588 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -74.59 -29.99 61.53 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -97.79 -9.09 27.13 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -107.56 9.48 29.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.807 0.337 . . . . 0.0 111.551 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -71.89 -31.97 66.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.442 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.52 -29.31 56.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.35 -15.47 61.18 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.351 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.441 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 94.1 mmm -61.12 -24.59 66.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.809 0.338 . . . . 0.0 111.725 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.65 81.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.435 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -65.44 -50.82 63.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.971 0.415 . . . . 0.0 110.78 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -62.53 -35.59 79.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.44 -179.748 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.42 97.48 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.801 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.1 tp -72.19 -42.55 65.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.34 -42.2 94.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.955 0.407 . . . . 0.0 110.399 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -65.94 -24.59 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.879 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.12 -36.22 81.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.219 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' O ' ' HD3' ' A' ' 47' ' ' PRO . 90.4 m-85 -98.8 -40.88 7.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.776 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -111.56 95.22 26.25 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.781 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' A' ' 45' ' ' PHE . 13.5 Cg_exo -71.81 -27.7 17.62 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.848 2.365 . . . . 0.0 111.97 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -82.19 -11.5 58.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.51 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.622 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -55.67 -61.14 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.93 0.395 . . . . 0.0 111.483 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -167.0 154.94 9.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.535 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -80.23 121.26 25.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.943 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -73.81 -27.52 61.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.303 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.5 -22.21 57.35 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.158 0.504 . . . . 0.0 110.413 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -91.6 4.34 52.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.79 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.5 mt -101.39 138.49 38.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.431 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.409 ' OD2' ' HB3' ' A' ' 58' ' ' ALA . 4.0 p-10 -122.69 152.5 62.16 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.621 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 56' ' ' ASP . 24.5 Cg_exo -63.68 -27.96 68.87 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.011 2.474 . . . . 0.0 114.357 -178.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.409 ' HB3' ' OD2' ' A' ' 56' ' ' ASP . . . -65.69 -33.62 76.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.951 0.405 . . . . 0.0 110.823 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -84.88 29.27 0.64 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.726 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -53.29 -34.32 56.86 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.628 ' HG2' HG21 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -66.18 -39.56 89.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.119 0.485 . . . . 0.0 110.464 179.544 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -79.78 -33.1 40.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.835 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -59.87 -50.64 72.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.502 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.527 ' CB ' HG13 ' A' ' 83' ' ' VAL . 6.3 m-85 -57.87 -47.34 83.02 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.978 178.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.451 ' OG1' HG11 ' A' ' 83' ' ' VAL . 14.3 m -59.77 -48.62 80.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.758 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.6 tp -60.3 -46.47 89.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.405 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.26 -50.65 69.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.31 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -59.69 -46.96 87.48 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.457 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 16.9 p -63.79 -48.98 74.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.722 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.622 HG21 ' HB1' ' A' ' 49' ' ' ALA . 13.3 m -62.34 -34.39 76.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.343 . . . . 0.0 110.815 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.61 73.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.123 0.487 . . . . 0.0 110.193 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 76' ' ' ASP . 46.9 tt0 -87.11 -38.38 16.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.002 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 69' ' ' SER . 29.8 mmtp -69.72 -33.48 72.54 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 74.0 mt -107.0 -34.96 7.02 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.57 -5.32 17.61 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.42 ' HA ' ' O ' ' A' ' 72' ' ' GLU . 19.9 m-20 61.98 28.27 17.16 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.456 0.472 . . . . 0.0 111.741 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.0 t -62.7 159.74 15.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.009 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.82 131.51 44.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.902 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -76.59 84.71 3.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.001 0.429 . . . . 0.0 110.144 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 82.7 mt -86.88 -10.75 52.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.522 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.9 mt -135.5 154.51 51.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.124 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.14 142.18 34.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.867 0.365 . . . . 0.0 110.776 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.527 HG13 ' CB ' ' A' ' 64' ' ' PHE . 78.9 t -60.14 -58.93 5.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.499 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.68 -37.38 78.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.651 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.03 -50.52 71.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.436 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.3 mtp -62.86 -37.38 86.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.5 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.628 HG21 ' HG2' ' A' ' 61' ' ' ARG . 69.4 t -66.85 -41.21 87.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.861 0.363 . . . . 0.0 110.289 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -66.18 -50.41 64.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.909 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.03 -42.97 88.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . 70.15 -5.05 1.38 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.448 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.4 t -137.16 102.08 9.12 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -80.88 156.38 20.6 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.535 2.157 . . . . 0.0 112.286 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.45 ' OD2' ' HB3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -87.66 135.78 33.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 179.574 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.1 m -58.56 -37.22 75.27 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.45 ' HB3' ' OD2' ' A' ' 93' ' ' ASP . 38.9 ttmt -64.56 -50.09 68.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.325 . . . . 0.0 111.023 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 33.9 m -60.94 -43.85 98.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.007 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 101' ' ' ILE . 91.4 t -64.25 -39.82 86.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.525 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.541 ' CE1' ' HA ' ' A' ' 6' ' ' LYS . 46.6 t80 -58.35 -45.01 88.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.3 m -65.14 -38.49 90.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.351 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -62.55 -44.26 96.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.602 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 97' ' ' VAL . 47.3 mm -69.18 -36.88 75.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.469 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -54.55 42.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.386 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -62.16 -33.87 75.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 57.9 tp -67.18 -47.98 69.32 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -60.6 -43.75 97.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.613 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -55.03 -46.77 75.3 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.247 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.9 m -67.18 -41.76 85.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.536 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 78.4 mt -61.96 -38.35 88.19 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.809 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 51.3 t -69.35 -42.74 81.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -38.24 84.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.989 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -83.54 -7.99 59.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.249 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.31 30.57 66.95 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.553 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 61.0 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 120.915 0.388 . . . . 0.0 111.207 -179.571 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 22.7 tt0 . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.97 0.414 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' B' ' 83' ' ' GLU . 30.5 mp0 -56.55 -40.98 76.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.574 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -60.86 -41.64 96.28 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.053 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.16 -48.08 89.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.409 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 37.8 mtp85 -62.76 -40.99 99.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.474 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.536 ' O ' HG23 ' B' ' 91' ' ' VAL . 32.6 tp10 -60.89 -48.76 80.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.705 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.01 74.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.137 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -67.97 -34.28 76.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.929 0.395 . . . . 0.0 111.495 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -66.51 -34.79 78.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.406 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 87' ' ' GLU . 64.3 t -69.07 -29.67 43.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.295 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -72.98 -25.81 61.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -85.57 158.69 20.07 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.49 ' HD2' ' HA3' ' A' ' 4' ' ' GLY . 59.6 mttt -128.45 -0.1 5.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.909 0.385 . . . . 0.0 111.399 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.95 -38.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.235 0.54 . . . . 0.0 110.256 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.38 57.19 0.72 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -117.18 -32.44 5.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.852 0.358 . . . . 0.0 110.69 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 88.51 15.26 60.39 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.172 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -96.98 116.31 28.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.697 0.284 . . . . 0.0 111.397 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.4 pt -139.13 157.67 28.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.147 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.99 172.37 9.17 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 102' ' ' ALA . . . . . 0.608 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -60.59 -34.84 74.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.0 -55.83 29.88 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.334 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.559 ' O ' HG23 ' B' ' 108' ' ' VAL . 2.3 mp0 -59.93 -50.48 73.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.696 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 24.1 tp -52.54 -50.92 61.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.955 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.517 ' HG3' HG11 ' B' ' 121' ' ' VAL . 13.0 ttt180 -60.22 -41.41 93.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.36 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -68.23 -36.58 79.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.758 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 104' ' ' GLU . 97.0 t -63.4 -48.59 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.693 0.282 . . . . 0.0 110.443 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 78.5 mtp -58.01 -41.35 82.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.804 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.91 -34.4 64.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.915 0.388 . . . . 0.0 111.397 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -74.82 -19.81 60.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 111.221 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.55 -18.6 62.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.251 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.4 -0.66 40.17 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.199 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -61.27 123.63 18.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.733 0.301 . . . . 0.0 110.676 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -91.57 33.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.623 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.535 HD11 HG22 ' B' ' 121' ' ' VAL . 2.1 pt? -79.44 148.22 32.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.191 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.85 154.79 41.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.159 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -35.78 79.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.281 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -65.85 -31.72 72.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.154 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.08 -44.77 91.36 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.535 HG22 HD11 ' B' ' 116' ' ' LEU . 4.0 t -64.87 -45.41 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.393 179.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -47.92 83.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.134 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -63.53 -39.73 95.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.58 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 70.7 mtm -68.89 -36.32 77.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.093 0.473 . . . . 0.0 110.389 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.797 HG23 HD12 ' B' ' 130' ' ' ILE . 31.2 mt -66.03 -31.96 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -75.99 -6.96 53.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.786 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -98.85 -1.74 39.48 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -115.7 160.78 19.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.058 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -82.99 59.41 4.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.604 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.797 HD12 HG23 ' B' ' 125' ' ' ILE . 44.8 mt -94.81 -54.01 7.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.322 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -73.65 124.27 25.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.057 0.456 . . . . 0.0 111.306 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.22 3.14 65.48 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.632 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.52 -72.89 0.66 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.603 0.24 . . . . 0.0 111.484 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 157.15 -104.98 0.26 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.236 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -104.74 155.18 19.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.728 0.299 . . . . 0.0 110.199 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 136' ' ' VAL . . . . . 0.498 HG11 HG12 ' B' ' 130' ' ' ILE . 16.3 m -127.65 173.39 13.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.162 0.506 . . . . 0.0 111.227 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 137' ' ' ASN . . . . . 0.502 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 20.8 p-10 -101.39 137.27 39.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.885 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 138' ' ' TYR . . . . . 0.482 ' O ' HG23 ' B' ' 142' ' ' VAL . 54.9 p90 -67.9 -17.14 64.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 139' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' B' ' 143' ' ' GLN . 10.1 mt-10 -55.19 -42.11 72.82 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.12 -49.54 76.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.961 0.41 . . . . 0.0 111.062 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -65.11 -30.96 71.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.99 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 142' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 138' ' ' TYR . 70.3 t -64.38 -44.39 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 143' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' B' ' 139' ' ' GLU . 83.3 mt-30 -66.06 -38.02 87.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.151 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 57.2 mtt -66.09 -46.42 77.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.467 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 62.2 mtm -60.89 -36.12 78.42 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.2 p -79.65 -5.31 54.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.173 0.511 . . . . 0.0 111.562 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -117.38 11.95 14.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.207 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 73.6 tttt . . . . . 0 C--O 1.248 1.011 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.84 -179.711 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.835 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -29.21 70.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.025 0.44 . . . . 0.0 111.39 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.495 ' HB2' ' HB2' ' B' ' 94' ' ' LYS . 11.4 ttmm -65.04 -27.56 68.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.08 -36.62 83.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.05 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -62.63 -51.58 66.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.231 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 9' ' ' LEU . 18.8 mt -62.37 -36.68 83.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.2 tp -64.41 -46.6 82.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.434 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -61.17 -43.9 98.15 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.966 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -60.36 -52.86 63.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.79 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.4 m -67.51 -47.78 68.98 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -58.08 -37.01 73.67 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.16 90.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.018 0.437 . . . . 0.0 110.677 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.0 mtt -81.63 -22.67 37.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.329 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.5 m -64.24 -29.9 70.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.228 0.537 . . . . 0.0 110.64 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -67.94 -8.5 37.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.829 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.9 -3.49 59.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.962 0.41 . . . . 0.0 110.377 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -121.22 -174.62 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.761 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.08 150.25 50.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.509 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 69.35 8.45 6.8 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.724 0.64 . . . . 0.0 111.921 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.8 t -120.41 117.35 53.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -131.03 103.61 6.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.28 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.687 ' HA ' ' HB3' ' A' ' 31' ' ' SER . 72.1 mt -92.83 104.65 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.86 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -101.8 -34.46 9.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.857 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -148.75 165.54 31.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.391 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.451 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 77.1 m-85 -87.58 68.57 9.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.819 0.342 . . . . 0.0 110.823 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.3 p -167.01 -91.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.592 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -37.46 82.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.191 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.687 ' HB3' ' HA ' ' A' ' 25' ' ' ILE . 12.2 m -69.16 -10.85 59.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.042 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.451 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 74.4 m95 -106.74 -3.65 20.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.149 -0.221 . . . . 0.0 111.503 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.8 m -67.87 -15.14 63.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.166 0.508 . . . . 0.0 111.235 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -20.41 58.5 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.69 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.29 -44.36 2.41 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.356 -0.449 . . . . 0.0 112.858 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.6 mmm -50.59 -31.75 16.79 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.477 0.711 . . . . 0.0 112.481 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.28 -38.69 71.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -66.27 -52.11 50.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.024 0.44 . . . . 0.0 110.738 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 66.6 m -64.57 -32.97 74.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.617 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.18 87.64 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 110.672 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.3 tp -64.3 -48.29 76.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.572 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.1 mm -60.07 -41.42 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.006 0.431 . . . . 0.0 110.839 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -64.79 -21.79 66.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.533 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -34.56 64.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.732 0.301 . . . . 0.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.506 ' HB3' HD13 ' A' ' 113' ' ' LEU . 62.8 m-85 -92.97 -39.58 11.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -120.79 83.21 35.91 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.515 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -73.33 -15.43 25.21 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.674 2.25 . . . . 0.0 111.436 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -87.29 -2.36 58.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.009 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.596 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -72.24 -66.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.65 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -151.37 162.37 41.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.504 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -84.57 125.97 32.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.373 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.404 ' HA ' HD12 ' A' ' 55' ' ' LEU . 65.0 t80 -74.38 -29.7 61.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.752 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.11 -21.07 60.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.762 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -88.82 2.31 53.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.91 0.386 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 52' ' ' TYR . 80.2 mt -92.88 102.02 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.098 0.475 . . . . 0.0 110.376 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.823 ' H ' ' HD2' ' A' ' 59' ' ' LYS . 4.0 m-20 -88.23 152.44 50.29 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.523 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 15.8 Cg_endo -59.57 -24.01 73.4 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.047 2.498 . . . . 0.0 112.311 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.16 -11.25 58.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.044 0.45 . . . . 0.0 110.768 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.823 ' HD2' ' H ' ' A' ' 56' ' ' ASP . 82.2 mttt -97.8 23.76 7.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.114 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 57' ' ' PRO . 46.5 mtm180 -55.26 -40.89 71.51 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -62.73 -45.47 92.56 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -70.42 -30.9 67.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.245 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -59.91 -51.9 67.74 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.825 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.478 ' HB2' HG13 ' A' ' 83' ' ' VAL . 37.6 m-85 -58.65 -45.5 89.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.876 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -62.82 -43.72 98.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.51 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 tp -59.59 -49.56 77.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.969 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.49 -52.07 66.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.96 -179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -67.15 -54.85 17.4 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.7 m -60.3 -39.48 87.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.596 HG21 ' HB1' ' A' ' 49' ' ' ALA . 9.1 m -72.85 -43.52 62.51 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.295 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.25 93.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.309 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.96 -37.56 86.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.309 0.576 . . . . 0.0 110.185 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -71.97 -29.15 63.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.567 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -92.38 -50.82 5.44 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.86 19.5 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 40.02 62.77 1.19 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 23.3 p -75.43 146.94 40.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.718 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.09 114.58 8.39 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -72.27 78.42 0.99 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.261 0.553 . . . . 0.0 111.23 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.6 mt -91.71 10.88 26.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 mt -142.06 138.06 31.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.6 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -107.38 138.49 43.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.081 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.478 HG13 ' HB2' ' A' ' 64' ' ' PHE . 47.0 t -57.73 -58.33 6.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.376 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.64 -47.27 70.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.96 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.79 -45.24 93.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.694 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 82.1 mtp -65.31 -39.11 92.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' VAL . 87.4 t -69.22 -36.69 73.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.085 0.469 . . . . 0.0 109.995 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -67.21 -48.64 67.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.517 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.7 mt -78.05 -33.66 50.85 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 75.06 -50.36 0.66 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.523 0.729 . . . . 0.0 111.626 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 43.7 t -101.35 109.27 58.38 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 6.1 Cg_exo -75.26 173.93 13.66 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.847 2.364 . . . . 0.0 111.259 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.515 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 16.1 t70 -94.6 144.72 25.37 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.971 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m -63.4 -35.71 81.3 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -68.55 -38.94 81.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.946 0.403 . . . . 0.0 110.702 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 27.5 m -65.6 -48.14 73.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.01 -43.09 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -56.18 -48.52 76.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.4 m -68.04 -37.55 81.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.723 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.24 -46.53 86.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.051 0.453 . . . . 0.0 110.673 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 51.2 mm -71.66 -31.18 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.137 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -55.91 -58.29 8.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.961 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.92 -34.63 78.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.477 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 37.5 tp -61.86 -45.77 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.994 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.541 ' O ' HG23 ' A' ' 109' ' ' VAL . 42.3 t80 -59.11 -46.58 87.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.851 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -57.61 -40.94 80.27 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.194 0.521 . . . . 0.0 110.99 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 m -67.54 -26.32 66.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.803 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 28.7 mt -88.57 -21.09 24.25 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 105' ' ' TYR . 68.8 t -64.49 -56.4 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.541 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.64 -16.59 63.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.884 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -87.7 -13.87 41.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.97 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 77.62 8.84 87.16 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.995 -0.621 . . . . 0.0 113.052 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.506 HD13 ' HB3' ' A' ' 45' ' ' PHE . 75.5 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 110.991 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.762 0.315 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' B' ' 83' ' ' GLU . 40.0 mp0 -58.46 -49.68 76.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.702 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -58.29 -39.4 79.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.629 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 49.5 mt -63.1 -48.08 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.975 0.417 . . . . 0.0 109.935 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.764 ' HG2' ' HE2' ' B' ' 138' ' ' TYR . 62.2 mtp180 -69.84 -33.14 71.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.057 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.461 ' O ' HG23 ' B' ' 91' ' ' VAL . 3.1 tp10 -63.66 -38.93 92.99 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.09 95.72 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.025 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -68.33 -34.6 76.41 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -66.38 -23.89 66.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.444 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 87' ' ' GLU . 96.5 t -64.75 -33.21 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -76.42 -42.2 44.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.556 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -62.46 152.03 35.59 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -124.39 -0.83 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.886 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -134.21 -13.26 2.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.58 53.69 3.73 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -107.47 -31.35 8.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.892 0.377 . . . . 0.0 110.799 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 87.44 11.92 68.12 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.783 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -116.43 121.95 43.37 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.937 0.399 . . . . 0.0 111.073 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.2 pt -136.07 -173.95 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.685 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 60.6 p -106.0 172.19 6.94 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 102' ' ' ALA . . . . . 0.757 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -67.81 -29.55 68.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.156 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.98 -51.88 66.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.195 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.511 ' O ' HG23 ' B' ' 108' ' ' VAL . 4.0 mp0 -67.31 -41.28 85.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.007 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.41 -54.11 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.081 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -70.14 -6.16 32.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -96.6 -13.48 22.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.201 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 104' ' ' GLU . 60.4 t -78.19 -56.45 7.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.4 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -56.04 -38.76 70.99 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.414 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.35 -35.25 75.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.071 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -77.81 -27.42 50.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.952 0.406 . . . . 0.0 110.752 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.24 -25.42 62.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.254 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.99 10.0 50.46 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.541 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.79 128.44 36.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.297 . . . . 0.0 110.965 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -76.43 66.64 2.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.669 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.439 HD23 HG22 ' B' ' 121' ' ' VAL . 15.1 tp -113.8 125.46 54.11 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.031 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 117' ' ' THR . . . . . 0.427 ' O ' HG23 ' B' ' 121' ' ' VAL . 10.7 p -70.3 148.42 48.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -60.09 -25.88 65.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.082 0.467 . . . . 0.0 110.297 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.09 -48.26 79.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.049 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -67.75 -38.21 83.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.554 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.439 HG22 HD23 ' B' ' 116' ' ' LEU . 57.5 t -61.54 -45.31 98.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -33.87 76.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.977 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.41 -44.21 79.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.135 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 67.5 mtt -63.82 -43.3 96.65 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.257 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.765 HG23 HD12 ' B' ' 130' ' ' ILE . 38.3 mt -61.83 -31.41 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.993 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -28.23 39.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.548 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -69.97 -41.58 74.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.392 . . . . 0.0 110.191 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.42 154.18 22.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.453 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -78.25 85.37 4.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.348 0.594 . . . . 0.0 111.343 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.913 HG12 HG11 ' B' ' 136' ' ' VAL . 27.3 mt -107.37 -57.64 4.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.766 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.33 125.2 25.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.856 0.36 . . . . 0.0 110.7 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.06 -22.91 30.39 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.385 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -91.47 -79.22 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.205 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 130.08 -34.38 2.74 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.019 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -134.21 122.17 22.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.959 0.379 . . . . 0.0 111.045 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 136' ' ' VAL . . . . . 0.913 HG11 HG12 ' B' ' 130' ' ' ILE . 9.7 m -118.28 136.25 56.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.29 0.567 . . . . 0.0 112.301 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 137' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 0.3 OUTLIER -82.01 127.6 33.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.98 179.398 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 138' ' ' TYR . . . . . 0.764 ' HE2' ' HG2' ' B' ' 86' ' ' ARG . 29.4 p90 -67.91 -16.53 64.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.095 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -47.95 -56.56 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -54.22 -41.66 68.92 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -66.76 -39.45 87.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.857 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.38 -48.39 81.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.403 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -59.78 -41.78 91.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.764 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 1.4 ttm -59.59 -44.74 93.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.199 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 67.2 mtm -63.35 -43.47 97.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.376 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 4.4 m -68.99 -17.41 63.92 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.022 0.439 . . . . 0.0 111.335 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.22 -7.4 48.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.07 0.462 . . . . 0.0 111.019 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.142 179.899 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.626 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.492 ' H ' ' HZ2' ' B' ' 94' ' ' LYS . 0.9 OUTLIER -63.17 -35.16 79.38 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 122.594 0.357 . . . . 0.0 111.383 -179.265 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -64.29 -36.99 85.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.916 0.389 . . . . 0.0 110.481 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -75.32 -32.64 61.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -58.52 -51.71 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.927 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.8 mt -68.38 -34.79 76.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.452 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.6 tp -60.94 -49.41 77.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.649 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -62.61 -42.69 99.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.97 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -56.54 -49.87 73.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.077 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.8 m -70.89 -37.0 72.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.671 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -58.46 -35.14 71.7 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.56 -37.32 85.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.114 0.483 . . . . 0.0 110.622 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.1 mtt -77.72 -25.62 49.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.725 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -65.17 -26.35 68.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.134 0.492 . . . . 0.0 110.473 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -73.87 -3.85 31.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.77 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -102.19 -11.22 18.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.381 . . . . 0.0 111.405 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -104.4 -175.01 2.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.415 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -135.28 143.82 46.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.669 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 68.03 19.06 9.4 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.651 0.594 . . . . 0.0 111.395 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.4 t -125.83 126.25 69.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.32 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -140.97 114.44 8.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.791 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.608 ' HA ' ' HB3' ' A' ' 31' ' ' SER . 66.2 mt -99.25 111.89 30.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.849 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -95.25 -42.28 8.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.434 0.635 . . . . 0.0 109.429 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -157.35 -176.74 6.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.609 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.44 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 72.0 m-85 -90.8 56.69 3.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.857 0.361 . . . . 0.0 110.677 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 p -151.93 -94.53 0.05 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -35.22 70.29 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -178.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.608 ' HB3' ' HA ' ' A' ' 25' ' ' ILE . 1.0 OUTLIER -66.78 -14.26 62.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.909 0.385 . . . . 0.0 111.887 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.72 ' HB2' ' HG2' ' A' ' 92' ' ' PRO . 33.0 m95 -107.65 4.1 25.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.416 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.0 m -72.44 -15.72 61.82 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.029 0.442 . . . . 0.0 111.174 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -16.47 31.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.83 -36.93 2.66 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.22 -0.515 . . . . 0.0 112.749 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 mmt -46.68 -37.67 8.68 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.07 -34.81 61.08 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -69.1 -53.79 18.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.843 0.354 . . . . 0.0 110.681 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 m -62.83 -33.07 74.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.795 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.78 -46.05 92.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.554 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.63 -45.69 78.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.695 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.7 mm -62.48 -43.23 98.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.029 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -63.17 -30.49 71.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.652 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -68.47 -41.55 79.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.022 0.439 . . . . 0.0 110.661 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -84.23 -35.5 23.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.984 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -121.99 93.49 48.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 120.837 0.351 . . . . 0.0 111.487 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -72.72 -13.66 27.01 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.904 2.402 . . . . 0.0 110.935 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -93.65 -1.85 54.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.887 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.735 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -68.08 -61.08 2.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.855 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -165.9 164.7 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.531 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -88.85 113.76 24.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -65.94 -24.44 66.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.463 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.22 -21.33 61.41 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -94.9 4.37 53.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.43 0.633 . . . . 0.0 110.79 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -93.15 125.63 37.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.918 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.524 ' H ' ' HD2' ' A' ' 59' ' ' LYS . 8.2 m-20 -116.24 150.37 45.16 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.363 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.82 -22.54 74.56 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.018 2.478 . . . . 0.0 111.98 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.68 -21.18 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.391 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.524 ' HD2' ' H ' ' A' ' 56' ' ' ASP . 67.5 mttt -98.11 50.95 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -62.27 -47.16 85.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.998 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -61.85 -44.56 96.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.133 0.492 . . . . 0.0 110.205 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -35.14 79.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.77 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -60.08 -50.11 75.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.444 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.46 ' HB2' HG13 ' A' ' 83' ' ' VAL . 45.0 m-85 -63.4 -44.19 95.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.578 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.2 m -60.36 -53.57 55.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.739 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.6 tp -56.39 -46.81 79.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.539 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.05 -55.94 28.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.76 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -60.82 -49.72 76.34 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.0 m -59.92 -43.04 95.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.735 HG21 ' HB1' ' A' ' 49' ' ' ALA . 22.5 m -68.71 -40.29 80.03 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.15 77.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.902 0.382 . . . . 0.0 110.314 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -74.13 -42.02 60.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.371 0.605 . . . . 0.0 110.217 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.47 -43.96 62.98 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.9 mt -96.48 -28.02 14.61 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.12 0.13 12.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 45.26 43.05 7.76 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 16.6 p -85.51 153.54 22.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.076 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.53 145.55 39.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.894 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -103.22 89.86 3.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.803 0.335 . . . . 0.0 111.452 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.83 -12.97 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.355 0.598 . . . . 0.0 110.654 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.6 mt -122.03 140.27 52.69 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -111.96 142.28 44.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.131 0.491 . . . . 0.0 111.66 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.46 HG13 ' HB2' ' A' ' 64' ' ' PHE . 40.1 t -52.37 -49.39 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.137 -179.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -38.18 78.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -33.74 32.96 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.133 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.4 mtp -65.12 -45.75 83.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.693 0.282 . . . . 0.0 111.697 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 83' ' ' VAL . 39.3 t -69.0 -25.42 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.234 0.54 . . . . 0.0 110.626 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 88' ' ' ARG . 34.3 ttp180 -81.86 -49.44 10.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.694 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 70.5 mt -71.41 -39.78 70.9 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.448 ' O ' ' HD3' ' A' ' 92' ' ' PRO . . . 74.61 -44.22 0.55 Allowed 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.737 0.648 . . . . 0.0 112.397 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.43 106.34 35.41 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.72 ' HG2' ' HB2' ' A' ' 32' ' ' TRP . 11.6 Cg_exo -72.19 157.96 52.9 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.069 2.513 . . . . 0.0 112.521 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.81 132.42 33.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.573 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.6 m -57.51 -38.1 74.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.419 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.417 ' HA ' ' OD1' ' B' ' 95' ' ' ASP . 56.6 tttp -71.43 -50.8 28.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.935 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 85.8 m -56.84 -45.38 82.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.199 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.4 ' O ' HG12 ' A' ' 101' ' ' ILE . 91.4 t -64.71 -42.93 96.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.982 0.42 . . . . 0.0 109.968 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.44 -48.83 79.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.5 m -60.01 -36.12 76.53 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 111.188 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -65.7 -49.49 68.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.119 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 97' ' ' VAL . 48.3 mm -66.93 -32.59 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.033 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -57.85 -56.73 18.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.187 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.29 -36.12 82.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 58.2 tp -64.0 -42.44 97.18 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.51 ' O ' HG23 ' A' ' 109' ' ' VAL . 67.2 t80 -58.75 -42.52 89.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.846 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.867 ' HD2' ' HE2' ' B' ' 99' ' ' TYR . 32.6 mtp180 -56.66 -51.5 68.49 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.983 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.0 m -62.19 -41.82 98.71 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.071 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 96.3 mt -63.38 -36.86 85.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.382 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 105' ' ' TYR . 92.3 t -73.79 -46.21 47.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.244 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -66.07 -27.63 68.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.903 0.382 . . . . 0.0 111.942 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -87.51 3.6 46.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.982 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 63.68 31.81 82.04 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.958 -0.564 . . . . 0.0 113.516 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 98.0 mt . . . . . 0 C--N 1.324 -0.504 0 CA-C-O 120.857 0.36 . . . . 0.0 110.868 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.56 -31.82 68.34 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.141 0.496 . . . . 0.0 110.343 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 40.1 mp0 -60.53 -32.53 71.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.482 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.69 -41.53 13.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.1 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 86' ' ' ARG . 16.3 ttp85 -59.91 -46.79 88.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.939 -179.322 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.537 ' O ' HG23 ' B' ' 91' ' ' VAL . 35.3 mt-10 -64.46 -41.48 96.49 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.59 91.68 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.627 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -65.81 -36.1 82.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.663 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 33.7 ttt-85 -69.53 -24.57 63.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 87' ' ' GLU . 84.4 t -66.38 -25.17 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.324 0.583 . . . . 0.0 109.678 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -82.47 -21.42 35.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.3 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -75.35 118.59 18.41 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.492 ' HZ2' ' H ' ' A' ' 5' ' ' SER . 11.2 mttt -102.17 3.39 38.37 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -177.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 95' ' ' ASP . . . . . 0.417 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 1.2 m-20 -129.92 -30.29 2.03 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.551 -0.46 . . . . 0.0 112.236 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.56 73.72 1.23 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.05 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -156.61 -14.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.65 0.262 . . . . 0.0 111.678 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' GLY . . . . . 0.592 ' HA2' ' HE2' ' B' ' 138' ' ' TYR . . . 89.9 9.1 66.38 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.869 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 99' ' ' TYR . . . . . 0.867 ' HE2' ' HD2' ' A' ' 106' ' ' ARG . 22.5 m-85 -102.17 126.54 49.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.408 -0.396 . . . . 0.0 110.509 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 16.4 pt -133.68 176.92 7.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.147 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.09 159.06 16.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.141 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.95 -20.37 65.88 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.97 -58.54 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.856 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.619 ' O ' HG23 ' B' ' 108' ' ' VAL . 3.5 mp0 -68.84 -31.2 69.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 43.0 tp -52.54 -51.87 57.59 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.391 0.432 . . . . 0.0 111.778 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -68.56 -25.78 65.07 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.999 0.428 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -76.1 -25.39 55.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.081 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.619 HG23 ' O ' ' B' ' 104' ' ' GLU . 55.3 t -66.72 -47.26 83.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 72.9 mtp -62.19 -39.82 94.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.395 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.29 -38.39 68.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.153 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.15 -37.76 81.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.23 -21.49 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.047 0.451 . . . . 0.0 110.91 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.96 36.67 7.6 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.332 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' GLU . . . . . 0.462 ' HA ' ' OE1' ' B' ' 114' ' ' GLU . 3.7 mm-40 -71.07 146.79 49.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.7 0.286 . . . . 0.0 110.365 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -95.75 14.98 21.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.101 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 tp -76.33 133.51 39.96 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' THR . . . . . 0.403 ' O ' HG23 ' B' ' 121' ' ' VAL . 54.4 p -69.55 155.93 39.7 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.785 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.77 -31.58 69.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.075 0.464 . . . . 0.0 110.051 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.582 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 42.9 mm-40 -65.69 -46.61 78.37 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.905 178.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -60.5 -38.31 83.92 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.802 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 117' ' ' THR . 57.5 t -62.95 -46.73 95.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -36.22 82.86 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.188 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 123' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 47.0 mt-10 -60.64 -44.46 96.37 Favored 'General case' 0 N--CA 1.458 -0.068 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.936 178.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 50.5 mtt -66.07 -39.1 89.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.778 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.872 HG23 HD12 ' B' ' 130' ' ' ILE . 67.2 mt -57.85 -40.98 78.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.123 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -76.67 -17.69 58.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.976 -0.557 . . . . 0.0 112.014 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 127' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' B' ' 123' ' ' GLU . 77.1 mm-40 -82.97 -36.92 24.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.064 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.9 -165.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.566 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -112.73 108.79 17.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.237 0.541 . . . . 0.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.872 HD12 HG23 ' B' ' 125' ' ' ILE . 52.1 mt -134.8 -72.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.606 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -71.04 130.57 41.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.062 0.458 . . . . 0.0 110.283 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 132' ' ' GLY . . . . . 0.433 ' HA2' HG12 ' A' ' 109' ' ' VAL . . . 82.32 6.91 88.31 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.753 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.05 -13.21 9.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.88 0.371 . . . . 0.0 111.592 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 134' ' ' GLY . . . . . 0.64 ' HA3' ' HA ' ' A' ' 106' ' ' ARG . . . 99.83 -95.11 1.44 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.558 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 135' ' ' GLN . . . . . 0.412 ' HB2' ' HD2' ' B' ' 99' ' ' TYR . 84.0 mm-40 -110.52 167.62 10.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -112.31 148.6 15.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.366 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -107.11 150.58 26.41 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 138' ' ' TYR . . . . . 0.592 ' HE2' ' HA2' ' B' ' 98' ' ' GLY . 25.2 p90 -93.11 -14.43 27.26 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.75 -47.4 84.79 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -63.22 -40.92 98.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.926 0.393 . . . . 0.0 111.045 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -66.39 -42.95 87.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.243 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 77.0 t -61.36 -47.01 95.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.695 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -58.72 -43.09 90.05 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.061 0.458 . . . . 0.0 110.61 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 47.1 ttp -65.01 -36.72 85.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 25.7 ttm -69.7 -42.02 74.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.463 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 2.9 p -72.78 -34.63 67.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.88 0.371 . . . . 0.0 111.905 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.83 75.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.569 -179.839 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' B' ' 92' ' ' PHE . . . . . . . . 0 N--CA 1.447 -0.625 0 N-CA-C 112.682 -0.167 . . . . 0.0 112.682 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 p -68.8 -32.46 72.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.184 0.516 . . . . 0.0 110.985 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -62.78 -31.86 72.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.638 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -61.42 -36.36 80.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.757 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.8 ttt -58.95 -52.1 67.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.652 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.47 -34.65 74.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.895 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.5 tp -60.1 -55.61 31.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.887 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -63.97 -36.52 84.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.802 0.334 . . . . 0.0 111.044 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -56.63 -51.56 68.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.761 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.8 m -75.18 -34.92 61.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.574 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.16 -39.67 72.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.303 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.542 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . . . -58.08 -46.73 84.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.887 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.6 ptp -78.93 -11.28 60.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.505 HG21 ' H ' ' A' ' 25' ' ' ILE . 23.9 m -70.44 -23.8 62.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.27 0.557 . . . . 0.0 109.858 179.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.542 ' NH1' ' HA ' ' A' ' 15' ' ' ALA . 33.0 mtt180 -80.7 -5.47 57.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.156 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -97.84 -18.4 18.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -104.9 158.98 16.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.279 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -114.21 150.13 34.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.247 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 71.21 17.15 6.07 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.607 0.567 . . . . 0.0 111.444 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -130.93 133.54 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.835 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -145.31 91.97 2.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.051 0.453 . . . . 0.0 110.51 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.505 ' H ' HG21 ' A' ' 17' ' ' THR . 61.8 mt -80.12 95.05 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.306 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -92.02 -41.93 10.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.389 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -150.96 152.21 33.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.672 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.552 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 67.2 m-85 -75.21 66.89 1.77 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.806 0.336 . . . . 0.0 111.618 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -166.1 -81.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.046 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.78 -30.03 66.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.509 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.408 ' HB3' ' HA ' ' A' ' 25' ' ' ILE . 2.1 m -82.65 -1.75 52.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.552 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 34.2 m95 -114.18 3.01 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.564 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -74.38 -14.87 60.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.193 0.52 . . . . 0.0 110.357 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -23.29 60.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.09 -44.83 2.89 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.019 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 78.0 mmm -50.06 -29.52 9.02 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.303 0.641 . . . . 0.0 112.681 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.33 -36.37 66.19 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -63.43 -53.18 56.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.948 0.404 . . . . 0.0 111.006 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 55.9 m -63.99 -34.89 79.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.458 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.01 98.04 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 110.576 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.51 -48.79 73.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.717 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.8 mm -61.8 -37.36 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.025 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -61.06 -26.16 67.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.098 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -72.68 -20.44 61.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.02 0.438 . . . . 0.0 111.417 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -108.44 -42.75 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.513 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -115.37 96.11 44.82 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.658 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.58 -36.68 10.82 Favored 'Trans proline' 0 CA--C 1.526 0.12 0 C-N-CA 122.568 2.179 . . . . 0.0 110.889 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -87.94 30.3 0.86 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.389 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.827 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -92.06 -49.04 6.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.387 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -167.69 172.7 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.634 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -98.19 115.8 29.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.783 0.325 . . . . 0.0 110.428 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.494 ' HA ' HD12 ' A' ' 55' ' ' LEU . 82.5 t80 -72.73 -27.61 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.852 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.32 -19.41 60.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.046 0.45 . . . . 0.0 110.27 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -91.12 -6.86 53.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.896 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 52' ' ' TYR . 84.0 mt -84.59 118.75 24.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.009 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.582 ' H ' ' HD2' ' A' ' 59' ' ' LYS . 1.4 m-20 -99.14 153.16 37.93 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.173 -179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -64.54 -20.79 66.03 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.518 2.145 . . . . 0.0 110.662 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.3 1.78 56.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.475 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HD2' ' H ' ' A' ' 56' ' ' ASP . 78.5 mttt -107.7 29.01 7.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.214 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 60' ' ' ARG . 39.1 mtm180 -59.03 -38.97 80.52 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.774 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -34.86 77.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.001 0.429 . . . . 0.0 110.393 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -82.69 -34.1 27.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.399 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -57.59 -49.58 75.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.812 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.639 ' HB2' HG13 ' A' ' 83' ' ' VAL . 31.1 m-85 -58.61 -54.24 49.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.076 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.513 HG23 HG21 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -61.6 -40.14 93.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.512 -179.755 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.51 -50.74 71.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.524 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.422 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -62.01 -50.15 73.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.222 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -58.93 -54.51 46.29 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -60.92 -38.1 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.827 HG21 ' HB1' ' A' ' 49' ' ' ALA . 38.2 m -69.46 -42.68 74.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.217 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.41 -39.74 89.17 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.516 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 76' ' ' ASP . 4.0 tm-20 -71.95 -21.18 61.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.082 0.467 . . . . 0.0 110.799 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -87.79 -48.44 7.83 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.0 mt -90.24 -45.12 9.28 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.736 ' HA ' ' HE3' ' A' ' 111' ' ' LYS . . . -95.23 -5.3 44.1 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 72' ' ' GLU . 4.6 p-10 42.97 50.67 5.32 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.1 p -78.74 172.71 13.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.462 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.7 125.42 40.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.756 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -74.64 82.26 2.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.9 mt -86.68 -4.44 59.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.79 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.44 152.06 51.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.834 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -114.01 146.88 39.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.101 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.639 HG13 ' HB2' ' A' ' 64' ' ' PHE . 56.8 t -63.42 -51.96 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.243 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.67 -42.65 83.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.79 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.36 -46.9 78.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.664 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 58.1 mtp -62.08 -37.61 85.71 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.8 t -72.85 -37.15 53.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.274 0.559 . . . . 0.0 110.049 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 88' ' ' ARG . 39.5 ttp180 -69.33 -46.45 67.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.582 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.36 -33.44 42.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.812 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 74.91 -51.52 0.67 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.347 0.659 . . . . 0.0 112.054 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.1 t -101.89 107.06 50.66 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.72 158.92 52.22 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.358 2.038 . . . . 0.0 111.773 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.469 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 26.7 t70 -84.83 130.03 34.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 m -55.49 -45.08 77.05 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -62.97 -36.22 82.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.85 0.357 . . . . 0.0 111.076 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 60.5 m -69.29 -43.16 74.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.95 0.405 . . . . 0.0 110.543 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 101' ' ' ILE . 59.1 t -68.45 -37.25 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.56 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -53.33 -51.68 61.63 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.326 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 m -66.63 -34.62 78.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.516 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -63.2 -50.26 70.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 109.996 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 97' ' ' VAL . 46.1 mm -65.46 -37.79 80.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.868 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 41.4 tt0 -58.44 -47.44 83.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.455 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -69.67 -45.32 68.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.767 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.1 tp -56.93 -42.22 79.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.476 ' O ' HG23 ' A' ' 109' ' ' VAL . 72.9 t80 -57.27 -42.67 82.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.717 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 58.1 mtp180 -59.7 -47.49 85.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.534 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -61.56 -41.86 98.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.24 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.8 mt -67.87 -25.81 65.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.476 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 105' ' ' TYR . 42.6 t -73.73 -54.4 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.851 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.405 ' H ' ' HG2' ' A' ' 110' ' ' GLN . 3.1 pt20 -65.4 -25.6 67.62 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.736 ' HE3' ' HA ' ' A' ' 75' ' ' ALA . 50.0 mttm -82.53 -7.43 59.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.793 0.33 . . . . 0.0 110.972 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.49 48.93 33.87 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.8 mt . . . . . 0 C--N 1.327 -0.409 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.77 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.458 ' HG3' HG21 ' B' ' 146' ' ' THR . 11.6 tt0 . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.73 -37.8 74.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.828 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -62.03 -42.28 99.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.95 0.405 . . . . 0.0 110.017 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 67.6 mt -64.98 -46.01 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.024 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 60.6 mtp85 -60.71 -45.58 93.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.515 ' O ' HG23 ' B' ' 91' ' ' VAL . 12.7 tp10 -66.25 -39.99 89.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.02 -48.16 70.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.897 0.38 . . . . 0.0 111.231 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -73.51 -31.37 63.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.081 0.467 . . . . 0.0 110.529 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -65.99 -33.15 75.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.021 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 87' ' ' GLU . 55.6 t -61.42 -35.68 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.954 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 92' ' ' PHE . . . . . 0.529 ' O ' ' HA2' ' A' ' 4' ' ' GLY . 20.4 m-85 -72.62 -29.17 63.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.254 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -81.3 120.21 24.64 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -101.72 5.17 41.23 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.49 -12.78 3.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.87 55.71 4.78 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.609 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -107.81 -35.39 6.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.937 0.399 . . . . 0.0 110.549 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 97.72 -9.71 64.27 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.718 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -107.3 120.22 41.53 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.866 0.365 . . . . 0.0 110.655 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 21.1 pt -124.69 173.95 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.099 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 25.8 p -86.93 160.98 18.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' ALA . . . . . 0.472 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -64.67 -30.44 71.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.62 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.38 -51.1 62.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.014 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.593 ' O ' HG23 ' B' ' 108' ' ' VAL . 3.3 mp0 -64.63 -45.59 86.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.615 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.76 -51.25 69.63 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.942 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.584 ' HG3' HG11 ' B' ' 121' ' ' VAL . 21.1 ttt180 -61.37 -31.93 71.84 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.065 0.46 . . . . 0.0 110.481 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -72.49 -37.28 68.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.631 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 104' ' ' GLU . 48.0 t -62.5 -46.19 96.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.541 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 87.7 mtp -56.6 -42.81 79.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.428 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.03 -38.76 56.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.658 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -65.05 -23.45 67.18 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.652 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 31.9 mt -78.55 -10.65 59.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.673 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.38 15.15 74.75 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.233 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -64.44 127.21 30.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.684 0.278 . . . . 0.0 110.622 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -78.75 82.43 4.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.467 ' HG ' ' HB2' ' B' ' 120' ' ' GLU . 11.4 tp -134.61 127.98 32.28 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.613 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.18 153.45 37.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.781 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -39.48 79.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.78 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -62.5 -36.23 81.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.945 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.467 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 66.5 mm-40 -60.68 -48.32 82.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.068 0.461 . . . . 0.0 109.83 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.584 HG11 ' HG3' ' B' ' 106' ' ' ARG . 26.3 t -64.5 -43.88 96.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.125 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -41.94 95.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.482 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 123' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' B' ' 127' ' ' GLU . 72.6 mt-10 -63.29 -42.86 99.11 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.731 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 60.1 mtt -63.37 -38.31 90.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.948 0.404 . . . . 0.0 110.18 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.582 HG23 HD12 ' B' ' 130' ' ' ILE . 81.7 mt -63.22 -35.85 73.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.167 0.508 . . . . 0.0 109.927 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -71.14 -17.06 62.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.533 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 127' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 123' ' ' GLU . 11.8 mt-10 -95.68 -22.66 17.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 111.195 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.48 156.18 18.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.012 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -80.17 50.39 1.23 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.028 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.905 HG12 HG21 ' B' ' 136' ' ' VAL . 61.1 mt -83.18 -49.38 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.262 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -74.82 126.68 31.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.917 0.389 . . . . 0.0 110.734 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.91 -0.45 55.11 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -125.34 -174.39 3.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.558 -0.321 . . . . 0.0 110.472 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -104.46 -60.5 0.67 Allowed Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.085 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -129.01 155.79 44.83 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 136' ' ' VAL . . . . . 0.905 HG21 HG12 ' B' ' 130' ' ' ILE . 11.4 t -127.59 146.86 32.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 137' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 24.2 p-10 -78.86 135.73 37.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.167 0.508 . . . . 0.0 111.243 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 138' ' ' TYR . . . . . 0.417 ' O ' HG23 ' B' ' 142' ' ' VAL . 38.8 p90 -79.27 -9.76 59.65 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.19 -54.91 37.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.885 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -56.03 -40.64 73.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -65.04 -46.24 82.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.713 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 142' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 138' ' ' TYR . 86.7 t -61.58 -42.37 93.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.249 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -64.95 -45.46 85.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.215 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 59.4 mtm -63.88 -39.96 95.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.985 0.422 . . . . 0.0 111.494 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 57.6 mtm -66.4 -33.11 74.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.8 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 146' ' ' THR . . . . . 0.458 HG21 ' HG3' ' B' ' 82' ' ' GLU . 1.3 p -83.06 -13.5 55.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.996 0.427 . . . . 0.0 111.483 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -82.64 -23.12 34.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.351 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.573 -0.727 . . . . 0.0 110.287 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 111.689 -0.564 . . . . 0.0 111.689 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.91 -18.13 7.88 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.525 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 22.2 mt -80.93 79.87 7.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.063 0.459 . . . . 0.0 110.43 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.96 118.38 0.46 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.901 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.589 ' HB2' ' OH ' ' A' ' 98' ' ' TYR . 5.5 p -58.42 -44.56 89.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.184 0.516 . . . . 0.0 110.831 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -64.59 -25.03 67.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -70.97 -35.53 72.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.754 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.9 ttt -61.54 -50.65 71.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.807 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.8 mt -71.52 -29.31 64.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.933 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -59.99 -56.0 27.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.52 -34.94 79.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.7 t90 -60.12 -50.49 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.836 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 m -72.81 -36.12 67.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -63.74 -30.43 71.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.48 77.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.034 0.445 . . . . 0.0 110.211 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.4 mtt -82.67 -20.29 36.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.609 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -67.39 -23.96 65.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.318 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -76.38 -10.28 59.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.388 0.613 . . . . 0.0 110.458 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -106.96 15.47 25.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.232 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -138.45 164.57 29.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.45 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -127.54 158.57 37.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.844 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 68.76 7.12 5.94 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.442 0.639 . . . . 0.0 110.66 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.9 t -131.22 129.97 63.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.119 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' O ' ' HB3' ' A' ' 31' ' ' SER . 24.6 t0 -145.2 110.88 5.39 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.523 ' HA ' ' HB3' ' A' ' 31' ' ' SER . 56.0 mt -91.06 95.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.613 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -86.43 -38.14 17.63 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -151.92 159.23 43.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.619 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.423 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 87.0 m-85 -80.19 62.19 4.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.698 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -163.58 -86.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.275 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -59.49 -38.76 81.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.098 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.523 ' HB3' ' HA ' ' A' ' 25' ' ' ILE . 1.5 m -69.74 -10.09 57.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.423 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 64.7 m95 -105.75 3.82 29.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.876 0.369 . . . . 0.0 111.04 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.5 t -72.2 -18.61 61.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.801 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 p -75.2 -21.38 58.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.17 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.41 -41.7 2.52 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.304 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.9 mmm -52.54 -28.71 21.88 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.189 0.596 . . . . 0.0 112.085 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.01 74.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.546 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.407 ' O ' HG12 ' A' ' 42' ' ' ILE . 55.8 m-85 -66.1 -49.19 68.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.085 0.469 . . . . 0.0 110.401 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.2 m -63.18 -37.62 87.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.797 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.5 95.42 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.661 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.0 tp -66.17 -47.93 72.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.949 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 38' ' ' PHE . 49.1 mm -62.55 -41.35 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.984 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -64.45 -29.3 70.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.482 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.06 -34.86 77.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.688 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -89.98 -36.52 14.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.899 0.38 . . . . 0.0 111.269 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -120.3 91.72 46.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -67.64 -26.76 39.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.788 2.325 . . . . 0.0 111.768 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -89.26 8.01 32.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.965 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.643 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -73.97 -55.79 5.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.82 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -164.21 172.39 13.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.266 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -96.91 108.8 21.58 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -66.2 -31.52 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.043 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.7 -18.68 62.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.881 0.372 . . . . 0.0 111.261 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -91.7 -4.73 54.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.26 0.553 . . . . 0.0 110.482 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.68 134.19 33.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.194 0.521 . . . . 0.0 111.773 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -111.36 146.9 35.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.928 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.9 -19.63 64.13 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 122.237 1.958 . . . . 0.0 110.917 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.54 -9.95 58.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.502 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -95.85 26.88 3.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.07 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -55.33 -32.71 62.73 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -37.13 82.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.664 0.268 . . . . 0.0 110.783 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -95.08 -23.09 17.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.763 0.316 . . . . 0.0 110.85 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -56.57 -53.55 56.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.568 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.718 ' HB2' HG13 ' A' ' 83' ' ' VAL . 62.9 m-85 -60.78 -45.32 94.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 111.562 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -62.0 -42.18 98.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.772 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.7 tp -62.61 -47.11 85.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.544 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.43 -54.59 37.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.561 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -60.72 -54.18 48.35 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.5 m -59.13 -45.43 90.94 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.643 HG21 ' HB1' ' A' ' 49' ' ' ALA . 12.9 m -66.21 -39.71 89.83 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.231 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.91 -35.94 81.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.986 0.422 . . . . 0.0 110.509 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' HA ' ' H ' ' A' ' 77' ' ' CYS . 2.0 tm-20 -78.23 -25.6 47.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.198 0.523 . . . . 0.0 110.564 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -79.86 -37.88 33.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.142 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.1 mt -103.94 -18.48 14.59 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.07 11.58 3.91 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 42.72 45.19 4.04 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.448 ' H ' ' HA ' ' A' ' 72' ' ' GLU . 12.5 p -67.85 140.77 56.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.91 118.69 13.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.289 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -77.2 81.28 3.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.233 0.539 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.0 mt -85.96 -18.62 32.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.439 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 96' ' ' CYS . 83.9 mt -114.59 160.62 19.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.262 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -125.82 153.94 43.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.765 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.718 HG13 ' HB2' ' A' ' 64' ' ' PHE . 33.8 t -66.7 -52.68 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.398 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -59.27 -45.1 92.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.974 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.43 -50.39 74.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.785 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.3 mtp -63.34 -42.44 98.95 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.15 -42.87 85.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.994 0.426 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 88' ' ' ARG . 39.8 ttp-105 -64.51 -40.86 96.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.226 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.4 mt -83.06 -30.08 28.32 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.67 -51.83 0.7 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.269 0.628 . . . . 0.0 112.0 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.8 t -110.29 109.73 58.46 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -81.15 160.84 20.48 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.841 2.36 . . . . 0.0 112.093 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.561 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 10.1 t70 -77.57 140.07 39.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.14 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.2 m -61.53 -31.23 71.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.05 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -70.05 -38.53 75.85 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.961 0.41 . . . . 0.0 110.325 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.561 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 32.1 m -66.51 -44.68 81.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.115 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 101' ' ' ILE . 50.1 t -65.98 -44.3 92.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.271 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.589 ' OH ' ' HB2' ' A' ' 5' ' ' SER . 84.0 t80 -56.9 -49.94 74.05 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.8 m -61.79 -38.41 87.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.373 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -63.17 -48.92 76.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.942 0.401 . . . . 0.0 110.207 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 97' ' ' VAL . 44.5 mm -69.78 -32.19 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.311 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.623 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 24.7 tt0 -55.88 -61.96 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.042 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -34.3 77.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 49.6 tp -62.53 -49.04 76.91 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.547 ' O ' HG23 ' A' ' 109' ' ' VAL . 63.7 t80 -56.66 -50.47 72.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.259 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 63.7 mtp180 -57.17 -44.09 83.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.057 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.0 m -63.89 -36.37 83.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.226 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 76.4 mt -72.59 -38.88 67.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.342 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.738 HG22 ' HB ' ' A' ' 114' ' ' VAL . 26.0 t -70.53 -42.32 78.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.555 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -66.84 -18.97 65.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.083 0.468 . . . . 0.0 111.696 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -99.68 8.36 44.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.092 0.473 . . . . 0.0 110.64 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.16 41.71 94.77 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.616 -0.72 . . . . 0.0 113.784 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 35.8 mt -104.75 -49.3 3.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.917 0.358 . . . . 0.0 111.928 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.738 ' HB ' HG22 ' A' ' 109' ' ' VAL . 91.0 t -69.88 -28.53 37.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-O 120.925 0.393 . . . . 0.0 111.061 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -79.45 56.75 2.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.373 0.606 . . . . 0.0 110.037 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.78 -4.39 50.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.215 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -128.77 106.09 8.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -107.77 106.2 16.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' A' ' 119' ' ' LYS . 24.4 ttpt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.36 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -64.05 -21.89 66.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.056 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 -60.03 -34.37 73.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.002 0.43 . . . . 0.0 110.294 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 48.9 mt -68.84 -42.33 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.755 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -65.62 -45.09 84.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.162 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.511 ' O ' HG23 ' B' ' 91' ' ' VAL . 67.2 mm-40 -62.27 -35.64 79.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.269 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.64 -40.4 83.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.963 0.411 . . . . 0.0 110.391 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.403 ' HE1' HD12 ' B' ' 105' ' ' LEU . 60.7 m-85 -81.42 -29.05 34.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.15 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -65.02 -25.6 67.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.824 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 87' ' ' GLU . 94.0 t -68.53 -38.15 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -77.09 -44.75 29.42 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.804 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -76.95 94.72 3.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -80.21 15.56 1.51 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -133.5 -27.43 1.54 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.833 0.349 . . . . 0.0 111.355 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.05 52.61 4.0 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -107.15 -33.72 7.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.665 0.269 . . . . 0.0 111.644 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' GLY . . . . . 0.606 ' HA2' ' CZ ' ' B' ' 138' ' ' TYR . . . 103.92 6.64 42.75 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.501 -0.856 . . . . 0.0 113.658 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' TYR . . . . . 0.631 ' HB3' ' HB3' ' B' ' 135' ' ' GLN . 98.9 m-85 -124.49 129.31 50.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.843 0.321 . . . . 0.0 111.163 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.49 HG12 ' HD2' ' B' ' 138' ' ' TYR . 18.8 pt -138.36 -171.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 5.1 p -92.97 159.94 15.1 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.06 -27.65 65.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.982 0.42 . . . . 0.0 110.426 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.51 -46.29 60.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.302 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.573 ' O ' HG23 ' B' ' 108' ' ' VAL . 0.8 OUTLIER -67.75 -34.78 77.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.261 179.663 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.403 HD12 ' HE1' ' B' ' 89' ' ' PHE . 12.4 tp -58.28 -49.23 77.87 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.68 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -61.03 -35.62 77.38 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.741 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -66.44 -34.52 78.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.264 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 104' ' ' GLU . 24.0 t -72.63 -41.81 62.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.964 0.412 . . . . 0.0 110.033 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.81 -41.23 90.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.072 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 3.2 p -78.14 -20.37 52.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.018 0.437 . . . . 0.0 110.939 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -76.35 -33.09 58.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.307 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.28 -14.76 63.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.347 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.67 31.22 54.68 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.084 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.59 152.94 37.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.752 0.31 . . . . 0.0 111.319 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -94.08 30.48 1.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -106.21 143.23 34.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.9 0.381 . . . . 0.0 110.828 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' THR . . . . . 0.458 ' O ' HG23 ' B' ' 121' ' ' VAL . 17.3 p -81.74 163.68 22.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.278 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.56 -36.87 72.22 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.183 0.516 . . . . 0.0 110.004 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' B' ' 123' ' ' GLU . 2.5 mp0 -57.62 -48.95 78.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.396 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -63.11 -36.8 84.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 117' ' ' THR . 61.6 t -61.73 -46.8 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.427 ' HA ' ' HB ' ' B' ' 125' ' ' ILE . 2.2 m-20 -66.93 -31.53 72.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.043 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' B' ' 119' ' ' GLU . 72.2 mm-40 -61.3 -49.13 78.25 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 66.6 mtt -67.91 -38.49 83.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.048 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.883 HG23 HG13 ' B' ' 130' ' ' ILE . 8.7 mt -61.65 -40.69 87.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.83 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' B' ' 126' ' ' ARG . 5.3 mtm105 -69.5 -15.26 63.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.383 . . . . 0.0 111.217 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -104.72 18.48 22.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.245 0.545 . . . . 0.0 109.899 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -136.15 179.12 6.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.977 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -93.31 115.86 28.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.883 HG13 HG23 ' B' ' 125' ' ' ILE . 34.6 mm -125.7 -70.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.379 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -87.74 63.51 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.379 0.609 . . . . 0.0 110.717 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -138.1 -68.83 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.85 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -103.49 -27.61 12.27 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.58 -23.41 28.28 Favored Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.54 -0.838 . . . . 0.0 114.953 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' GLN . . . . . 0.631 ' HB3' ' HB3' ' B' ' 99' ' ' TYR . 26.3 mm-40 -112.32 112.69 24.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.509 0.654 . . . . 0.0 111.283 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 39.4 t -94.1 124.6 46.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.083 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 0.2 OUTLIER -75.02 115.47 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.677 178.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 138' ' ' TYR . . . . . 0.606 ' CZ ' ' HA2' ' B' ' 98' ' ' GLY . 8.5 p90 -73.54 -19.89 60.79 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.95 -38.7 73.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.161 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -62.1 -40.48 96.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.241 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -71.6 -38.75 70.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.21 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 138' ' ' TYR . 97.7 t -60.4 -50.61 79.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.183 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -59.82 -46.08 90.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.924 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 37.1 ttm -59.41 -43.87 92.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.994 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 45.5 mtm -65.46 -38.24 89.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.801 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 38.2 p -74.73 -12.96 60.54 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.47 -24.1 18.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.134 0.492 . . . . 0.0 110.153 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.69 -0.671 . . . . 0.0 109.446 179.581 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -60.7 -37.33 79.86 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.857 2.371 . . . . 0.0 113.049 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.0 mt -104.64 58.22 0.7 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.508 0.67 . . . . 0.0 110.402 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.07 55.48 0.73 Allowed Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.168 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -48.04 79.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.034 0.445 . . . . 0.0 110.654 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.649 ' HE3' ' HB2' ' B' ' 95' ' ' ASP . 57.2 mttt -65.67 -26.5 67.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.602 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.34 -32.6 74.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.573 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -60.01 -52.15 66.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.21 -40.7 86.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.49 -50.13 73.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.173 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.55 -45.2 95.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.002 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -63.11 -48.42 78.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t -65.24 -50.82 64.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.453 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -56.07 -32.18 63.86 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 -30.96 72.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.001 0.429 . . . . 0.0 110.817 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.9 mtm -93.37 -40.78 10.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.808 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -65.19 -23.38 67.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.095 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 ttm-85 -64.26 -20.44 66.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.076 0.465 . . . . 0.0 110.832 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -78.92 -19.48 51.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.892 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -94.05 103.71 15.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.664 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -62.42 148.37 45.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.195 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 76.82 -6.23 2.05 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.686 0.616 . . . . 0.0 111.452 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.57 78.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.048 0.451 . . . . 0.0 111.381 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.56 121.32 41.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.014 0.435 . . . . 0.0 110.48 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.6 mt -95.92 111.28 25.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.316 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -91.86 -50.01 5.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.349 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -153.46 169.94 21.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.473 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.413 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 80.4 m-85 -80.51 63.34 4.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.925 0.393 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 p -161.95 -87.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.737 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -62.03 -41.51 98.17 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -16.43 61.98 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 72.9 m95 -106.23 0.37 25.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.017 0.437 . . . . 0.0 110.781 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t -77.59 -13.88 59.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.592 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -17.11 45.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.281 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.9 -41.65 2.21 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 121.313 -0.47 . . . . 0.0 113.335 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.446 ' HB3' ' OH ' ' A' ' 52' ' ' TYR . 81.1 mmm -53.05 -25.77 13.72 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.31 93.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.702 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.418 ' O ' HG12 ' A' ' 42' ' ' ILE . 71.0 m-85 -65.55 -47.88 74.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.748 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.516 ' HB2' ' HE1' ' A' ' 52' ' ' TYR . 1.5 m -60.44 -36.62 78.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.582 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.55 -44.09 95.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.84 -41.8 91.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.989 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 38' ' ' PHE . 48.9 mm -62.82 -46.87 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -66.55 -27.83 68.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.266 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 44' ' ' LYS . 13.2 tptt -60.97 -39.86 91.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -94.3 -34.97 12.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.65 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -116.75 100.85 53.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 111.384 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -69.37 -27.14 28.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 111.639 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -86.82 3.26 45.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.546 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -61.5 -65.05 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -170.99 171.42 5.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.317 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.462 ' HB2' ' HB2' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -87.12 118.33 26.44 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.255 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' HE1' ' HB2' ' A' ' 39' ' ' CYS . 31.8 t80 -76.41 -35.71 58.44 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.39 -19.67 62.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.926 0.393 . . . . 0.0 111.576 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 63.7 mm-40 -90.38 0.72 57.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.534 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.7 mt -87.55 156.05 19.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.647 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 25.7 m-20 -128.21 136.19 28.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.255 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 56' ' ' ASP . 32.4 Cg_exo -64.35 -24.1 64.92 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.82 2.347 . . . . 0.0 111.198 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.04 -15.1 61.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.625 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.647 ' HD2' ' HB2' ' A' ' 56' ' ' ASP . 79.1 mttt -105.71 46.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.423 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HA ' ' HB2' ' A' ' 63' ' ' ASN . 20.2 mtm180 -59.73 -36.93 77.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.429 ' HG2' HG21 ' A' ' 87' ' ' VAL . 45.7 mtm105 -61.17 -47.98 83.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.132 0.491 . . . . 0.0 110.463 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -71.67 -30.6 65.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.151 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.423 ' HB2' ' HA ' ' A' ' 60' ' ' ARG . 1.1 m-20 -61.48 -52.69 63.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.33 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.505 ' HB2' HG13 ' A' ' 83' ' ' VAL . 25.4 m-85 -59.48 -45.26 92.17 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.437 ' OG1' HG11 ' A' ' 83' ' ' VAL . 40.8 m -58.53 -49.36 77.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.787 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.6 -46.05 91.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.446 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.91 75.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.391 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.547 ' HD2' HG22 ' A' ' 83' ' ' VAL . 15.5 m-85 -64.97 -47.58 77.09 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.7 p -59.89 -44.89 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 111.384 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.546 HG21 ' HB1' ' A' ' 49' ' ' ALA . 24.7 m -65.42 -40.99 94.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.782 0.325 . . . . 0.0 111.041 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.19 97.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.173 0.511 . . . . 0.0 110.208 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 76' ' ' ASP . 35.5 tt0 -70.66 -32.89 70.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.928 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -80.31 -39.29 28.99 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.5 mt -96.26 -30.55 13.39 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -177.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.21 -2.74 10.09 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER 56.12 42.06 28.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.989 0.423 . . . . 0.0 111.839 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 60.1 m -67.31 139.71 57.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.455 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.39 148.2 48.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.818 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -79.89 88.08 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.622 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.2 mt -98.54 -10.5 23.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.327 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' A' ' 96' ' ' CYS . 40.0 mt -139.52 145.06 38.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.32 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.573 ' HB2' ' CB ' ' A' ' 85' ' ' ASP . 19.1 mt-10 -100.4 141.47 33.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.151 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.547 HG22 ' HD2' ' A' ' 68' ' ' PHE . 63.3 t -62.12 -55.96 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.025 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.14 -35.23 79.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.345 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.573 ' CB ' ' HB2' ' A' ' 82' ' ' GLU . 32.9 t70 -65.23 -42.6 93.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.901 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 31.1 mtp -63.41 -37.51 87.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.429 HG21 ' HG2' ' A' ' 61' ' ' ARG . 41.8 t -70.01 -38.75 76.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.05 0.453 . . . . 0.0 110.112 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -67.26 -52.86 35.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.46 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.84 -30.94 71.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.272 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.07 -64.7 0.38 Allowed 'General case' 0 N--CA 1.465 0.299 0 O-C-N 124.009 0.818 . . . . 0.0 110.57 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.0 t -95.34 115.34 65.36 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.28 161.08 46.91 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.424 2.083 . . . . 0.0 112.431 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.44 139.27 31.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.112 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -58.24 -39.8 80.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.976 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -64.18 -46.77 82.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.721 0.296 . . . . 0.0 111.582 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.46 ' HB3' HD21 ' A' ' 81' ' ' LEU . 43.5 m -59.2 -41.49 88.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.397 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 101' ' ' ILE . 57.8 t -71.77 -42.9 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.099 0.476 . . . . 0.0 110.149 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -58.58 -53.21 60.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.849 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.1 t -65.02 -23.86 67.33 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -72.69 -50.57 23.99 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.962 0.411 . . . . 0.0 110.028 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 97' ' ' VAL . 24.1 mm -72.63 -27.74 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.39 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.804 ' HG2' ' HG3' ' B' ' 135' ' ' GLN . 13.5 tt0 -52.69 -62.51 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.492 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.477 ' OE2' ' HD2' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -74.12 -22.74 59.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.506 -179.39 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 54.7 tp -63.41 -38.47 91.28 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.472 ' HA ' HD12 ' A' ' 108' ' ' LEU . 6.7 t80 -61.49 -30.97 70.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.293 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.603 ' HG3' ' HA3' ' B' ' 134' ' ' GLY . 15.2 ttt180 -68.72 -21.21 64.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.486 0.66 . . . . 0.0 110.063 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 m -94.4 -0.74 54.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.312 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 105' ' ' TYR . 43.1 mt -107.49 -40.93 5.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.021 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.56 -43.29 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.419 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -59.9 -31.26 69.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.198 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.693 ' HB2' ' HG ' ' A' ' 113' ' ' LEU . 57.6 mmtt -80.71 -7.67 59.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.95 0.405 . . . . 0.0 110.892 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.56 22.47 77.89 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.618 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.693 ' HG ' ' HB2' ' A' ' 111' ' ' LYS . 88.7 mt -68.04 -37.38 81.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.017 0.437 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.0 t -64.3 -41.14 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.755 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.52 ' HE3' ' HG2' ' A' ' 119' ' ' LYS . 30.5 mttp -89.66 66.77 7.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.832 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.36 -15.93 59.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.118 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -99.12 163.73 12.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.856 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -68.58 106.25 2.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.023 0.44 . . . . 0.0 110.668 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.52 ' HG2' ' HE3' ' A' ' 115' ' ' LYS . 27.2 tptp . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.155 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.633 ' OE2' ' HD2' ' B' ' 86' ' ' ARG . 19.9 tt0 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.915 0.388 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 44.0 mp0 -54.06 -47.22 71.9 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.013 0.525 . . . . 0.0 112.193 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -61.67 -41.16 97.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.805 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.33 -45.87 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.399 . . . . 0.0 109.983 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.633 ' HD2' ' OE2' ' B' ' 82' ' ' GLU . 46.6 mtp85 -63.87 -40.74 97.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.825 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.472 ' O ' HG23 ' B' ' 91' ' ' VAL . 0.9 OUTLIER -66.19 -38.34 87.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.726 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.68 90.61 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.503 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -67.49 -33.15 74.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.18 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -69.35 -22.79 63.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.187 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 87' ' ' GLU . 60.4 t -66.56 -35.4 74.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.26 0.552 . . . . 0.0 109.761 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -79.41 -13.9 59.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -83.56 139.0 33.13 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -113.0 19.8 16.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.933 0.397 . . . . 0.0 111.167 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.649 ' HB2' ' HE3' ' A' ' 6' ' ' LYS . 23.3 t70 -148.32 -44.68 0.15 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.315 0.579 . . . . 0.0 110.959 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.3 57.81 0.63 Allowed Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -120.52 -27.47 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.786 0.327 . . . . 0.0 111.008 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.0 24.69 43.71 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.197 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -122.54 121.26 36.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.645 0.26 . . . . 0.0 110.646 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 19.1 pt -137.56 -174.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.602 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 57.5 p -112.69 179.6 3.93 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.584 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ALA . . . . . 0.696 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -64.53 -25.08 67.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.49 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.66 -50.75 68.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.57 ' O ' HG23 ' B' ' 108' ' ' VAL . 25.4 mp0 -71.07 -42.35 69.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.287 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 29.4 tp -54.26 -51.11 65.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.046 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.638 ' HG3' HG11 ' B' ' 121' ' ' VAL . 11.6 ttt180 -62.61 -28.17 69.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -80.45 -37.38 32.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.565 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 104' ' ' GLU . 64.9 t -64.28 -43.82 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 110.255 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 51.3 mtt -56.9 -41.44 78.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.38 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.61 -34.55 58.37 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.417 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -67.19 -23.96 65.81 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.847 0.356 . . . . 0.0 111.245 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 82.2 mt -77.58 -9.0 58.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.127 0.489 . . . . 0.0 110.37 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.87 22.0 64.74 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.468 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -76.99 133.32 39.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 110.598 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -88.96 58.15 4.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.062 0.458 . . . . 0.0 110.727 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.404 ' HG ' ' HB2' ' B' ' 120' ' ' GLU . 12.2 tp -101.56 121.78 42.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.664 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.87 151.37 34.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.157 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.84 -35.72 64.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.915 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 26.3 mm-40 -61.23 -44.49 97.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.099 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.404 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 19.0 mm-40 -61.22 -43.44 98.87 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.19 0.519 . . . . 0.0 110.347 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.638 HG11 ' HG3' ' B' ' 106' ' ' ARG . 47.4 t -63.67 -44.78 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.037 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.57 -36.63 84.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.016 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 64.4 mt-10 -64.41 -39.25 93.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 124' ' ' MET . . . . . 0.475 ' HB3' ' HE1' ' B' ' 141' ' ' PHE . 59.7 mtt -64.77 -34.49 78.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.041 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.481 ' HA ' HD12 ' B' ' 130' ' ' ILE . 89.3 mt -66.11 -28.49 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 121.268 0.556 . . . . 0.0 109.967 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -80.36 -32.64 37.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.641 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.85 -35.95 79.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.584 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.27 173.43 6.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.554 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -99.71 81.72 2.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.4 0.619 . . . . 0.0 110.471 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.696 HG21 ' HB2' ' B' ' 102' ' ' ALA . 57.4 mt -105.83 -79.68 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.059 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.2 129.48 40.02 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.96 0.41 . . . . 0.0 111.098 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.1 -5.6 78.6 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.572 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' ASP . . . . . 0.403 ' HB3' ' H ' ' B' ' 134' ' ' GLY . 0.4 OUTLIER -113.6 -89.9 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.27 -0.172 . . . . 0.0 111.208 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 134' ' ' GLY . . . . . 0.603 ' HA3' ' HG3' ' A' ' 106' ' ' ARG . . . -177.54 -114.92 0.42 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.11 -1.043 . . . . 0.0 113.943 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 135' ' ' GLN . . . . . 0.804 ' HG3' ' HG2' ' A' ' 102' ' ' GLN . 64.3 mm-40 -79.95 157.29 26.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 111.991 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 6.5 t -125.35 129.48 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.542 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -93.69 119.53 32.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.099 0.476 . . . . 0.0 110.357 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -60.34 -24.3 64.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -57.57 -38.52 74.95 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -62.86 -38.53 91.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.943 0.402 . . . . 0.0 111.052 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' PHE . . . . . 0.475 ' HE1' ' HB3' ' B' ' 124' ' ' MET . 62.0 m-85 -75.42 -36.94 60.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.957 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.25 -48.53 88.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.977 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -64.46 -40.01 94.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 43.2 ttm -65.92 -41.82 90.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.05 0.452 . . . . 0.0 110.789 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 66.6 mtm -65.89 -29.34 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.908 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 2.9 p -89.48 -3.43 58.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.145 0.498 . . . . 0.0 111.308 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -108.97 10.85 26.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.219 0.533 . . . . 0.0 110.409 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.169 179.694 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -76.34 100.99 1.45 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.718 2.279 . . . . 0.0 111.805 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.4 mt -84.81 -37.29 20.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.484 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.37 153.06 17.64 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.494 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -65.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.807 0.337 . . . . 0.0 111.457 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -65.99 -9.53 31.07 Favored 'General case' 0 C--O 1.227 -0.086 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -60.15 -35.72 75.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 0.0 110.207 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.3 ttt -68.28 -45.91 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.248 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.4 mt -68.82 -34.96 76.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.962 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.34 -49.02 77.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.917 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.9 -42.21 98.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.891 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -58.73 -56.17 25.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.803 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.4 p -65.74 -34.63 78.63 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -64.7 -43.37 93.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.121 179.442 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.33 -35.7 68.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.953 0.406 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 54.0 tpp -67.02 -50.75 61.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.011 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -86.34 8.86 19.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.544 -179.379 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 31.5 ttt180 -68.42 -24.36 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.088 0.47 . . . . 0.0 110.532 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -91.0 7.56 39.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.364 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.54 ' HB2' HG22 ' A' ' 17' ' ' THR . 37.9 m-85 -110.79 122.42 47.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.394 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.79 154.49 25.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.357 -179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.3 t60 71.28 6.97 5.97 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.245 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.0 t -126.46 118.36 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.096 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -134.0 114.6 13.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.371 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.2 mt -93.47 93.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.145 0.497 . . . . 0.0 110.929 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -87.87 -36.46 17.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.392 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -164.23 160.61 21.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.752 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.48 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 71.2 m-85 -80.55 64.28 5.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.949 0.404 . . . . 0.0 111.983 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 p -158.06 -80.2 0.07 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.4 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -41.15 92.87 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 m -67.09 -14.66 63.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.889 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.48 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 58.7 m95 -108.68 5.12 24.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.775 0.321 . . . . 0.0 111.325 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -31.9 63.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.897 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -32.07 57.94 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.911 179.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.95 -20.31 33.32 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.563 -0.744 . . . . 0.0 113.091 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.8 mtp -60.82 -30.32 70.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.732 0.301 . . . . 0.0 111.7 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.95 74.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.424 ' O ' HG12 ' A' ' 42' ' ' ILE . 1.0 OUTLIER -64.38 -51.12 64.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.949 0.404 . . . . 0.0 110.369 179.666 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.22 -37.81 86.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.573 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.07 -45.59 92.84 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.037 0.446 . . . . 0.0 110.736 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.5 tp -66.75 -44.75 80.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 38' ' ' PHE . 43.5 mm -63.27 -42.81 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.967 0.413 . . . . 0.0 111.02 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -67.58 -23.49 65.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.478 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG2' ' OH ' ' A' ' 20' ' ' TYR . 4.3 tmtm? -63.34 -38.71 92.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.998 0.428 . . . . 0.0 110.068 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -94.31 -36.25 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.343 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.44 ' HZ ' ' HB2' ' A' ' 75' ' ' ALA . 59.7 m-85 -111.55 97.69 37.63 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 120.843 0.354 . . . . 0.0 110.809 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -70.45 -33.99 13.05 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.897 2.398 . . . . 0.0 112.05 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -86.29 12.55 9.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.006 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.37 -61.93 1.74 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.817 0.341 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -167.45 156.94 10.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.251 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -87.41 123.84 32.78 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -67.44 -23.82 65.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.755 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.18 -13.39 59.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.883 0.373 . . . . 0.0 110.99 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -98.91 9.31 43.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.472 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.0 mt -111.29 121.54 45.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.152 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.14 148.01 37.45 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.259 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.28 -20.25 70.15 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.939 2.426 . . . . 0.0 112.203 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.33 -12.43 60.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -109.95 40.93 1.81 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.155 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -56.5 -32.18 64.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.057 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -66.07 -52.64 47.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.42 ' HA ' ' OG1' ' A' ' 65' ' ' THR . 4.2 m-70 -71.84 -22.01 61.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.062 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -64.15 -49.94 70.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.168 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.653 ' HB2' HG13 ' A' ' 83' ' ' VAL . 27.3 m-85 -64.23 -43.82 93.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.607 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.539 HG23 HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -61.62 -48.17 82.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.675 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.6 tp -58.53 -46.48 86.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.347 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.13 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.959 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -60.23 -44.89 94.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 4.8 t -60.85 -36.63 79.62 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.8 m -79.48 -36.85 38.05 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 120.94 0.4 . . . . 0.0 110.734 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.429 ' C ' ' H ' ' A' ' 73' ' ' LYS . . . -63.69 -50.45 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.509 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 1.1 mp0 -78.97 25.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.326 0.584 . . . . 0.0 110.746 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 69' ' ' SER . 19.6 tttp -127.05 -53.28 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.577 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.3 mt -87.61 -20.23 26.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.869 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' HB2' ' HZ ' ' A' ' 46' ' ' PHE . . . -123.42 -36.26 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.509 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER 69.98 75.42 0.22 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.535 0.522 . . . . 0.0 110.799 -179.545 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.3 m -95.52 -168.51 1.79 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.798 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.66 125.0 48.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.469 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.92 73.58 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.664 0.745 . . . . 0.0 111.641 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.587 HD13 ' HB ' ' A' ' 99' ' ' THR . 18.0 mt -85.3 -4.22 59.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.469 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.9 mt -140.1 135.15 32.26 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.469 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 85' ' ' ASP . 23.5 mt-10 -95.83 144.35 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.653 HG13 ' HB2' ' A' ' 64' ' ' PHE . 89.1 t -61.08 -49.58 84.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.077 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.03 -42.47 97.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.541 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.561 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 2.5 t70 -59.58 -51.31 70.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.023 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 74.6 mtp -60.83 -40.84 94.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.035 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.65 -39.84 69.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.906 0.384 . . . . 0.0 110.506 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -65.51 -48.58 72.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.85 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.4 mt -79.01 -23.69 44.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.675 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.06 -54.63 0.69 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.409 0.683 . . . . 0.0 112.091 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.09 112.98 64.03 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -77.22 -176.96 3.48 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.512 2.142 . . . . 0.0 111.741 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.508 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 28.5 t0 -104.26 127.42 51.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.688 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.4 t -56.58 -29.14 61.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.544 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -64.41 -35.81 82.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 4.0 m -77.78 -38.99 45.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.95 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.525 ' O ' HG12 ' A' ' 101' ' ' ILE . 23.8 t -62.55 -41.52 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -55.93 -43.53 77.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.055 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.587 ' HB ' HD13 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -62.96 -44.17 96.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.67 -179.733 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -63.37 -41.95 98.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.575 0.226 . . . . 0.0 111.345 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' ' 97' ' ' VAL . 46.4 mm -64.77 -38.14 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.033 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.438 ' HG2' ' N ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -63.7 -43.0 97.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.521 179.43 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.438 ' N ' ' HG2' ' A' ' 102' ' ' GLN . 55.6 mm-40 -64.93 -44.78 88.37 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.09 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 47.5 tp -62.81 -43.88 97.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.693 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.441 ' HA ' HD12 ' A' ' 108' ' ' LEU . 64.9 t80 -56.46 -41.27 76.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.006 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.555 ' HA ' ' O ' ' B' ' 133' ' ' ASP . 21.9 mtt180 -58.42 -45.56 88.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.032 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.0 m -65.55 -30.8 71.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.23 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 47.8 mt -71.1 -37.65 72.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.981 0.42 . . . . 0.0 110.811 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.62 -51.6 49.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.401 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.409 ' HB3' ' O ' ' B' ' 132' ' ' GLY . 6.7 pt20 -61.79 -36.45 81.13 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -71.49 -32.43 68.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.993 0.425 . . . . 0.0 110.221 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.79 16.18 43.03 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.446 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 74.8 mt -68.06 -27.46 66.53 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.117 0.484 . . . . 0.0 111.093 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 15.4 t -68.28 -30.05 46.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.682 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -98.1 50.92 1.02 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.3 t -94.39 -29.99 14.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.302 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -156.48 137.93 13.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.3 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -141.63 169.49 17.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.201 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.798 -0.62 . . . . 0.0 110.259 -179.85 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.558 ' HG2' HG21 ' B' ' 146' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.251 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.439 ' HA ' ' OE1' ' B' ' 83' ' ' GLU . 6.5 mm-40 -62.42 -27.38 69.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.876 0.37 . . . . 0.0 111.364 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.476 ' H ' ' CD ' ' B' ' 84' ' ' GLU . 25.2 mp0 -65.95 -42.29 90.15 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 28.7 mt -67.4 -40.76 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.41 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -63.23 -39.95 96.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.973 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.433 ' O ' HG23 ' B' ' 91' ' ' VAL . 1.2 mm-40 -64.54 -44.56 90.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.703 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.51 -42.48 87.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.021 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -67.77 -35.68 79.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.092 0.472 . . . . 0.0 110.553 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -22.08 66.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.438 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 87' ' ' GLU . 83.4 t -65.3 -33.84 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.41 0.624 . . . . 0.0 109.497 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -85.58 -39.07 17.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.34 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -80.3 84.99 5.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -90.31 28.29 1.48 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.161 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.78 -37.21 2.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.93 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.59 42.96 5.31 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.909 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.16 -12.78 11.18 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.706 -0.291 . . . . 0.0 111.527 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' GLY . . . . . 0.568 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 87.44 -1.47 85.95 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.211 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -105.11 124.85 50.23 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 28.9 pt -135.77 173.1 14.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.519 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' SER . . . . . 0.723 ' HB2' ' HG2' ' B' ' 104' ' ' GLU . 1.4 m -81.27 151.45 28.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ALA . . . . . 0.533 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -65.36 -40.84 94.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.393 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.38 89.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.547 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.723 ' HG2' ' HB2' ' B' ' 101' ' ' SER . 17.4 mm-40 -69.14 -40.16 78.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.23 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 4.3 tp -56.43 -47.03 79.91 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.868 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.632 ' HD3' HD11 ' B' ' 125' ' ' ILE . 37.8 mtm180 -62.46 -34.31 76.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.042 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -67.05 -35.12 79.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.877 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 104' ' ' GLU . 39.6 t -68.81 -46.59 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.433 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 49.3 mtt -57.33 -44.12 83.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.951 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.51 -36.65 68.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.238 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -64.99 -40.6 95.21 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.18 -29.47 67.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.295 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.14 22.61 12.72 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.254 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -62.39 139.43 58.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.664 0.269 . . . . 0.0 110.451 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' B' ' 115' ' ' LYS . 17.7 mtpt -79.0 -2.77 41.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.679 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.573 HD23 HG22 ' B' ' 121' ' ' VAL . 8.1 tp -61.66 124.4 20.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.17 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' THR . . . . . 0.442 ' O ' HG23 ' B' ' 121' ' ' VAL . 7.4 p -79.34 161.38 26.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.196 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.37 -38.76 66.49 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -62.2 -44.05 97.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.86 0.362 . . . . 0.0 110.534 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.425 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 46.6 mt-10 -65.99 -40.5 91.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.241 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.573 HG22 HD23 ' B' ' 116' ' ' LEU . 62.5 t -66.05 -46.51 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.058 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.488 ' HA ' HD12 ' B' ' 125' ' ' ILE . 4.1 t70 -59.58 -39.72 85.02 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.267 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' GLU . . . . . 0.615 ' HA ' ' HD2' ' B' ' 126' ' ' ARG . 19.8 mt-10 -62.68 -33.86 75.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.863 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 55.6 mtt -70.18 -35.99 74.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.106 0.479 . . . . 0.0 110.004 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.702 HG23 HD12 ' B' ' 130' ' ' ILE . 80.1 mt -64.86 -33.67 65.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.615 ' HD2' ' HA ' ' B' ' 123' ' ' GLU . 29.9 mtt180 -76.48 -11.75 59.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.967 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -89.62 -30.15 18.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.585 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -100.42 160.15 14.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.242 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -82.51 88.52 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.388 0.614 . . . . 0.0 110.781 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.954 HG12 HG11 ' B' ' 136' ' ' VAL . 10.9 mt -121.67 -62.84 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.222 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.17 121.94 15.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.483 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 110' ' ' GLN . . . 96.41 -7.41 66.19 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.721 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 133' ' ' ASP . . . . . 0.555 ' O ' ' HA ' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -114.87 -79.65 0.59 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.687 0.28 . . . . 0.0 111.157 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 161.44 -135.58 4.01 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.514 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -66.63 151.21 47.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.872 0.367 . . . . 0.0 111.163 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' VAL . . . . . 0.954 HG11 HG12 ' B' ' 130' ' ' ILE . 7.1 m -126.92 159.21 37.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.72 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 137' ' ' ASN . . . . . 0.568 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 10.3 p30 -88.28 126.26 35.08 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.059 0.456 . . . . 0.0 110.379 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 138' ' ' TYR . . . . . 0.52 ' CZ ' ' HA2' ' B' ' 98' ' ' GLY . 8.4 p90 -69.37 -15.88 63.4 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -58.91 -40.81 85.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.375 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' GLU . . . . . 0.402 ' HG2' ' OD1' ' B' ' 137' ' ' ASN . 64.9 mm-40 -63.58 -41.42 98.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.13 0.49 . . . . 0.0 110.623 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 141' ' ' PHE . . . . . 0.412 ' HD2' ' HA ' ' B' ' 138' ' ' TYR . 99.8 m-85 -67.09 -38.45 85.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.099 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 142' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 138' ' ' TYR . 85.8 t -61.41 -48.0 90.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -55.79 -48.43 75.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 53.0 ttp -63.05 -39.73 95.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.689 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 60.4 mtm -63.5 -41.39 98.54 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 146' ' ' THR . . . . . 0.558 HG21 ' HG2' ' B' ' 82' ' ' GLU . 1.2 p -77.79 -33.56 52.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.744 0.306 . . . . 0.0 111.509 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.51 -50.33 52.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.776 -179.696 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.739 -0.544 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.64 -74.6 0.02 OUTLIER 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.923 2.415 . . . . 0.0 111.934 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.9 mt -79.2 -55.03 5.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.991 0.424 . . . . 0.0 110.534 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.8 120.04 3.07 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 p -55.12 -60.14 3.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.914 0.388 . . . . 0.0 112.017 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.596 ' HD2' ' HB2' ' B' ' 95' ' ' ASP . 74.3 tttt -59.84 -37.2 78.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.453 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -66.72 -48.99 67.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 ttp -61.11 -42.49 98.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.74 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.3 mt -63.42 -41.24 98.71 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.99 -45.9 90.23 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.168 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.43 -45.48 90.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.309 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -59.47 -48.0 83.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.275 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.4 m -61.06 -54.48 44.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.944 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -56.24 -38.75 71.52 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.138 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.45 -34.45 68.99 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 ptp -109.06 10.36 26.12 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m -120.76 -14.07 8.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.229 0.537 . . . . 0.0 110.544 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.6 ptm85 -65.88 -18.05 65.07 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.17 0.51 . . . . 0.0 110.983 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -78.71 -16.17 57.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.297 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -89.4 111.47 22.34 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 13.2 pt-20 -60.03 145.88 44.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.823 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.5 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 22.1 t-80 79.45 -15.62 0.74 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.437 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -103.52 104.7 17.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.29 0.567 . . . . 0.0 111.981 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -120.44 103.39 9.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.698 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.5 mt -83.38 100.05 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.054 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -110.68 -10.98 14.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.997 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -149.66 -178.75 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.009 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.418 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 13.2 m-85 -113.33 36.03 3.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.955 0.407 . . . . 0.0 110.192 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 p -149.7 -76.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.733 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.28 -40.64 71.27 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -8.63 55.62 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.465 ' HB2' ' HG2' ' A' ' 92' ' ' PRO . 33.7 m95 -110.33 4.53 20.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.635 0.255 . . . . 0.0 111.071 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.7 m -67.2 -26.52 66.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.06 0.457 . . . . 0.0 111.425 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.508 ' HB2' ' HG2' ' A' ' 36' ' ' MET . 15.4 p -83.47 -25.81 30.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.102 0.477 . . . . 0.0 110.143 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.36 -4.33 68.37 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.816 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.508 ' HG2' ' HB2' ' A' ' 34' ' ' SER . 81.6 mmm -68.05 -24.04 65.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.378 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.05 -31.46 62.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 42' ' ' ILE . 42.0 m-85 -67.05 -52.56 40.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 36' ' ' MET . 1.7 p -66.77 -31.53 72.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.48 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.2 87.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.466 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 tp -63.36 -43.01 98.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 38' ' ' PHE . 50.2 mm -64.71 -42.2 94.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.92 0.391 . . . . 0.0 110.322 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -64.1 -32.31 73.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.78 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -68.36 -34.75 76.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.283 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -79.91 -48.15 13.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -123.59 105.42 33.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.008 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.52 -14.07 18.1 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.613 2.209 . . . . 0.0 112.34 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -94.19 13.12 24.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.427 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.621 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -82.63 -72.49 0.44 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.131 0.491 . . . . 0.0 110.521 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -151.51 156.93 41.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.65 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -83.59 128.83 34.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.988 0.423 . . . . 0.0 110.726 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.614 ' HA ' HD12 ' A' ' 55' ' ' LEU . 60.1 t80 -81.64 -22.82 37.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.652 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.08 -23.2 63.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 0.0 111.137 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.18 7.61 43.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.215 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 52' ' ' TYR . 20.6 mt -84.77 98.18 10.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.318 0.58 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.468 ' HB3' ' HD2' ' A' ' 59' ' ' LYS . 15.2 t70 -86.0 133.98 40.01 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.481 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.533 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 49.1 Cg_exo -58.21 -21.88 54.11 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.404 2.736 . . . . 0.0 114.091 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.19 -10.85 59.67 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.95 -0.469 . . . . 0.0 110.772 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HD2' ' HB3' ' A' ' 56' ' ' ASP . 29.5 mttm -98.61 28.58 4.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.26 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 57' ' ' PRO . 45.7 mtm180 -47.29 -46.07 24.64 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -58.86 -49.17 78.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -38.56 82.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.197 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -60.08 -52.29 65.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.3 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.426 ' HB3' HG13 ' A' ' 83' ' ' VAL . 11.9 m-85 -56.96 -44.08 82.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.429 . . . . 0.0 110.516 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.506 ' OG1' HG11 ' A' ' 83' ' ' VAL . 6.5 m -63.0 -50.94 68.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.63 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.87 -42.21 84.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.688 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.2 -49.9 75.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.741 0.305 . . . . 0.0 111.439 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -70.52 -48.06 57.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.619 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.5 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 68.1 m -54.82 -42.78 72.28 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.621 HG21 ' HB1' ' A' ' 49' ' ' ALA . 48.9 m -61.17 -41.87 97.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.96 0.41 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.4 92.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.544 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.767 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 49.4 mt-10 -67.75 -50.16 58.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.972 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.5 ' HE2' ' HB3' ' A' ' 69' ' ' SER . 58.9 mttm -63.04 -22.42 66.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.4 mt -101.35 -48.91 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.93 5.46 4.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.767 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 33.7 t70 52.39 74.69 0.26 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.505 0.669 . . . . 0.0 111.492 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.86 155.01 28.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.84 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.8 123.2 19.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.29 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -77.8 67.44 3.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.24 0.543 . . . . 0.0 110.759 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.9 mt -84.77 -2.35 57.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.642 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.6 mt -135.55 141.72 45.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.253 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.615 ' HB2' ' HB2' ' A' ' 85' ' ' ASP . 19.3 mt-10 -104.2 133.47 49.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.498 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.506 HG11 ' OG1' ' A' ' 65' ' ' THR . 65.0 t -55.68 -60.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.733 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.61 -40.45 79.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.211 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.615 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 10.0 t70 -61.29 -48.82 79.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.312 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 68.0 mtp -62.91 -40.95 99.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.937 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.84 -41.65 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.741 0.305 . . . . 0.0 110.586 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -67.93 -42.07 81.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.703 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.32 -37.63 63.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.417 ' O ' ' HD3' ' A' ' 92' ' ' PRO . . . 74.53 -41.08 0.46 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.66 0.784 . . . . 0.0 111.897 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.1 t -103.56 104.74 43.64 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.08 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.465 ' HG2' ' HB2' ' A' ' 32' ' ' TRP . 13.3 Cg_exo -72.08 152.33 56.61 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.86 2.374 . . . . 0.0 110.93 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.24 137.45 37.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.949 0.404 . . . . 0.0 111.317 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 t -57.99 -36.92 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.208 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -77.63 -45.44 25.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.676 0.274 . . . . 0.0 111.596 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.5 m -57.59 -44.86 85.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.536 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.96 -44.35 92.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.77 0.319 . . . . 0.0 110.225 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.643 ' HE2' ' HB2' ' B' ' 97' ' ' ASN . 29.7 t80 -57.13 -44.16 83.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.151 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.434 HG23 HD21 ' B' ' 97' ' ' ASN . 24.6 m -61.1 -41.6 96.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.53 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -65.17 -47.25 77.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.523 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 51.5 mm -65.34 -38.09 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.739 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -53.7 -57.86 9.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.79 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -69.43 -28.45 66.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 57.4 tp -67.26 -30.89 70.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.216 0.531 . . . . 0.0 109.697 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -67.92 -34.12 76.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.8 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -29.44 70.39 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.955 0.407 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.1 m -62.9 -28.99 70.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.204 0.526 . . . . 0.0 110.254 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.5 mt -82.05 -39.19 23.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.497 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' B' ' 133' ' ' ASP . 21.3 t -66.76 -43.11 90.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.53 ' HA ' ' O ' ' B' ' 132' ' ' GLY . 33.0 tt0 -60.08 -37.17 79.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.546 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -83.4 -7.57 59.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.946 0.403 . . . . 0.0 110.743 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.97 26.92 69.81 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.224 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 81.4 mt -75.18 -19.48 59.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.168 0.508 . . . . 0.0 111.194 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.461 HG21 HG22 ' A' ' 109' ' ' VAL . 5.0 t -75.2 -12.26 14.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.512 0.672 . . . . 0.0 110.142 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -91.82 24.96 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.789 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.4 t -74.55 8.46 2.3 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.881 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -80.12 -18.71 49.12 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -74.03 122.21 22.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.188 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.726 -0.654 . . . . 0.0 110.48 -179.812 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 121.153 0.501 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -56.81 -33.45 66.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.874 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.61 -35.35 79.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.094 0.473 . . . . 0.0 110.453 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.22 -41.42 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.525 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.599 ' HG3' ' HE2' ' B' ' 138' ' ' TYR . 50.9 ttt180 -62.6 -44.93 95.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.975 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.405 ' O ' HG23 ' B' ' 91' ' ' VAL . 47.7 mt-10 -64.18 -31.21 72.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.344 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.34 -37.11 86.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.994 0.426 . . . . 0.0 109.965 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -67.64 -32.64 73.47 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.411 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -69.84 -21.09 63.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.539 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 87' ' ' GLU . 53.8 t -73.75 -30.61 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.536 0.684 . . . . 0.0 109.189 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' PHE . . . . . 0.689 ' HD2' ' HG3' ' B' ' 104' ' ' GLU . 17.2 m-85 -81.98 -38.85 24.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.369 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ASP . . . . . 0.443 ' CG ' ' H ' ' B' ' 96' ' ' GLY . 32.7 t0 -66.44 134.94 53.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 177.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.504 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 20.4 tptp -85.76 -11.99 52.17 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.596 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 22.6 t70 -125.96 -35.09 2.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.092 0.472 . . . . 0.0 111.297 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' GLY . . . . . 0.443 ' H ' ' CG ' ' B' ' 93' ' ' ASP . . . 96.66 56.37 1.17 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ASN . . . . . 0.643 ' HB2' ' HE2' ' A' ' 98' ' ' TYR . 1.8 t30 -106.36 -26.56 11.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 103.1 -0.98 47.45 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.598 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -111.45 117.68 33.71 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 14.7 pt -127.59 179.15 3.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.048 0.451 . . . . 0.0 111.487 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 74.9 p -86.06 169.15 13.43 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.064 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ALA . . . . . 0.581 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -71.3 -30.65 66.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.97 -51.3 48.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.97 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.689 ' HG3' ' HD2' ' B' ' 92' ' ' PHE . 1.2 mp0 -59.52 -46.38 89.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.134 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 10.0 tp -55.07 -53.89 50.06 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.652 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.678 ' HD3' HD11 ' B' ' 125' ' ' ILE . 73.8 mtm180 -59.69 -37.41 78.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.787 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -64.18 -34.13 77.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.552 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.568 HG23 ' O ' ' B' ' 104' ' ' GLU . 47.2 t -68.32 -43.97 84.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 85.6 mtp -58.62 -44.55 89.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.942 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.91 -31.86 64.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 111.173 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -72.14 -24.66 61.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.616 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -75.09 -15.71 60.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.91 25.33 38.24 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.206 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -74.36 118.34 17.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.65 0.262 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -77.67 48.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.837 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 tp -94.49 144.09 25.86 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' THR . . . . . 0.439 ' O ' HG23 ' B' ' 121' ' ' VAL . 63.1 p -74.41 149.88 40.26 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.03 -25.25 67.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.371 0.605 . . . . 0.0 110.061 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 12.6 mp0 -64.87 -46.34 82.24 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.776 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -64.8 -33.63 76.44 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 121.09 0.472 . . . . 0.0 110.321 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 117' ' ' THR . 62.1 t -63.98 -42.16 94.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.18 -41.25 92.48 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.095 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 39.3 mt-10 -62.28 -43.75 98.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.255 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.74 -39.74 95.05 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.681 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.678 HD11 ' HD3' ' B' ' 106' ' ' ARG . 97.5 mt -62.32 -35.08 67.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.041 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -77.25 -16.46 59.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.669 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -78.77 -46.17 19.43 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.53 165.87 23.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.071 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -104.72 78.53 1.45 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.064 0.459 . . . . 0.0 110.269 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.581 HG21 ' HB2' ' B' ' 102' ' ' ALA . 4.5 mt -105.96 -64.08 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.58 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.66 124.35 20.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.183 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' GLY . . . . . 0.53 ' O ' ' HA ' ' A' ' 110' ' ' GLN . . . 86.79 8.21 76.83 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.045 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 133' ' ' ASP . . . . . 0.48 ' O ' ' HB ' ' A' ' 109' ' ' VAL . 19.9 t70 -135.31 -68.94 0.51 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 164.1 -154.07 24.75 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.157 -1.021 . . . . 0.0 112.896 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -70.48 154.13 42.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.779 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' VAL . . . . . 0.571 HG11 HG12 ' B' ' 130' ' ' ILE . 2.7 m -120.75 167.32 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 137' ' ' ASN . . . . . 0.528 ' ND2' ' HB2' ' B' ' 139' ' ' GLU . 27.7 p-10 -99.4 141.52 32.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.72 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 138' ' ' TYR . . . . . 0.599 ' HE2' ' HG3' ' B' ' 86' ' ' ARG . 11.3 p90 -69.66 -21.32 63.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.669 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 139' ' ' GLU . . . . . 0.528 ' HB2' ' ND2' ' B' ' 137' ' ' ASN . 5.6 mm-40 -51.96 -43.14 63.41 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 140' ' ' GLU . . . . . 0.433 ' HG2' ' OD1' ' B' ' 137' ' ' ASN . 8.9 mm-40 -72.42 -47.33 50.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.427 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -60.77 -37.52 82.15 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.98 -48.8 86.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 143' ' ' GLN . . . . . 0.515 ' HA ' ' OG1' ' B' ' 146' ' ' THR . 10.8 mm100 -68.36 -26.4 65.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.875 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 66.2 mtp -69.38 -37.54 77.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.071 0.462 . . . . 0.0 110.282 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 16.0 ptp -84.94 -24.06 28.53 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 146' ' ' THR . . . . . 0.515 ' OG1' ' HA ' ' B' ' 143' ' ' GLN . 19.0 p -79.59 -22.67 43.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.699 0.285 . . . . 0.0 111.305 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -91.15 13.46 16.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.061 0.457 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 mttm . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.764 179.76 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -62.5 -38.92 48.68 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 111.717 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.8 mt -96.14 95.23 8.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.02 58.13 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 119.36 -1.4 . . . . 0.0 114.444 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -47.66 85.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.091 0.472 . . . . 0.0 110.28 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -69.79 -31.56 69.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.748 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -64.86 -35.41 81.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.2 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.6 tpt -63.36 -46.52 86.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.559 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.5 mt -68.63 -34.09 75.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.925 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.2 -45.29 93.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.485 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.19 -40.27 86.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.118 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -60.92 -46.49 90.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.621 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 t -67.67 -46.67 71.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.093 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.666 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 23.6 ttm180 -67.42 -8.78 35.84 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.67 -19.26 22.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.1 mtm -105.06 -54.5 2.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.431 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.74 ' HB ' HD11 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -69.35 -3.52 14.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.019 -178.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.666 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 43.1 ttm-85 -70.72 -24.4 62.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 110.093 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -78.29 -8.11 58.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.255 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -92.45 134.92 34.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.934 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -83.34 150.91 25.82 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.594 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 68.7 20.58 8.14 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.952 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -128.28 95.19 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 111.526 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' A' ' 31' ' ' SER . 5.4 p-10 -103.31 109.81 21.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.117 0.484 . . . . 0.0 110.168 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.74 HD11 ' HB ' ' A' ' 17' ' ' THR . 19.4 mt -87.16 84.92 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.11 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -80.17 -57.68 3.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.635 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -135.06 -166.88 1.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.717 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -99.66 16.56 23.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.655 0.264 . . . . 0.0 111.575 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.415 ' HB3' ' CG1' ' A' ' 91' ' ' VAL . 70.6 m -133.72 -70.77 0.52 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.17 -44.59 71.63 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.473 ' HB3' ' O ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -68.43 -18.58 64.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -178.704 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -100.24 1.33 41.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.932 0.396 . . . . 0.0 111.238 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 t -72.33 -21.69 61.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 p -79.14 -21.67 46.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.342 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.4 -29.22 4.04 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.455 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.1 mmt -56.54 -33.52 66.16 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.53 75.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.769 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -69.98 -47.23 63.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.918 0.389 . . . . 0.0 110.428 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.0 m -59.88 -44.76 94.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.434 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.51 96.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.5 tp -63.3 -50.58 69.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.932 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.9 mm -63.02 -38.21 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.035 0.445 . . . . 0.0 110.404 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.27 -25.63 67.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.185 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -71.16 -33.44 70.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.003 0.43 . . . . 0.0 110.165 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -84.24 -44.21 14.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.35 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -122.04 105.11 37.7 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.21 -11.64 29.07 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.756 2.304 . . . . 0.0 112.17 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -103.4 10.33 37.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.55 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.445 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -64.39 -60.17 3.49 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.928 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -167.17 154.59 8.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.88 93.82 2.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.235 0.541 . . . . 0.0 110.568 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -62.63 -35.35 79.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.558 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.47 -11.23 59.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.853 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -106.93 7.33 29.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.107 0.48 . . . . 0.0 111.035 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -87.51 153.06 21.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -129.93 142.79 46.6 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.435 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -63.2 -21.16 72.17 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.872 2.381 . . . . 0.0 111.447 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.52 -13.15 60.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.471 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -107.37 38.67 2.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.175 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -52.89 -39.78 62.97 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 61' ' ' ARG . 36.1 ttm180 -63.58 -45.22 91.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.932 0.396 . . . . 0.0 110.457 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -70.82 -31.19 67.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.39 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.89 -54.61 44.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.035 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HB2' HG13 ' A' ' 83' ' ' VAL . 30.3 m-85 -61.97 -46.27 89.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.651 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.7 m -58.03 -49.67 76.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.66 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.2 tp -61.99 -43.55 98.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.244 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.38 -51.65 64.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.518 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -63.88 -42.25 97.53 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.0 p -63.78 -44.78 92.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.663 0.268 . . . . 0.0 111.485 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.445 HG21 ' HB1' ' A' ' 49' ' ' ALA . 12.6 m -66.53 -42.67 86.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.361 . . . . 0.0 110.737 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.445 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -62.46 -35.78 80.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' HA ' ' H ' ' A' ' 77' ' ' CYS . 18.4 tt0 -79.04 -32.96 45.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.373 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -75.69 -35.61 60.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 99.2 mt -97.33 -48.33 5.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.43 -10.07 20.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.61 61.45 1.97 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.015 0.436 . . . . 0.0 110.526 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.487 ' H ' ' HA ' ' A' ' 72' ' ' GLU . 31.5 m -83.1 153.3 24.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.109 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.45 136.46 46.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.667 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -77.72 64.23 2.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.054 0.454 . . . . 0.0 110.938 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.5 mt -82.94 -21.46 34.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.647 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.473 ' HB3' ' SD ' ' A' ' 86' ' ' MET . 85.7 mt -118.37 139.67 51.01 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.897 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -114.17 131.39 56.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.422 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.559 HG13 ' HB2' ' A' ' 64' ' ' PHE . 44.1 t -54.75 -54.99 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.099 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.66 -39.45 70.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -75.15 -41.42 58.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.473 ' SD ' ' HB3' ' A' ' 81' ' ' LEU . 88.8 mtp -63.7 -40.43 96.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.698 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.39 -35.15 61.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.1 0.476 . . . . 0.0 110.149 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -68.12 -52.11 38.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.695 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.1 mt -70.34 -25.58 63.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.38 -58.74 0.58 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.582 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 22.7 t -97.61 112.6 61.79 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.884 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 6.6 Cg_exo -74.49 144.3 32.07 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.841 2.361 . . . . 0.0 112.122 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 95' ' ' LYS . 8.6 t70 -69.08 130.38 42.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.227 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -35.5 71.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.428 ' HB3' ' OD2' ' A' ' 93' ' ' ASP . 45.0 tttp -66.74 -42.96 85.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.964 0.411 . . . . 0.0 110.901 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 43.8 m -63.02 -39.08 93.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.458 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' ILE . 79.7 t -65.14 -43.12 95.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.367 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -58.87 -51.94 67.86 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.527 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.3 m -60.91 -36.65 79.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 111.279 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -62.46 -47.19 85.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.659 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 97' ' ' VAL . 38.3 mm -75.11 -28.92 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.422 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -53.3 -61.4 2.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.62 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.459 ' OE2' ' HD2' ' A' ' 106' ' ' ARG . 0.3 OUTLIER -72.42 -28.64 63.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.353 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.504 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 49.2 tp -63.98 -46.92 82.48 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.552 ' O ' HG23 ' A' ' 109' ' ' VAL . 83.4 t80 -58.4 -44.98 89.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.315 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.778 HH12 ' HE2' ' B' ' 99' ' ' TYR . 0.7 OUTLIER -60.46 -33.53 72.7 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.189 0.519 . . . . 0.0 111.077 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.4 m -76.21 -28.96 57.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.467 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 39.6 mt -76.48 -32.14 58.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 105' ' ' TYR . 61.9 t -68.27 -48.79 71.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.421 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -70.96 -5.3 29.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.608 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -100.69 -2.81 31.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.811 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.51 17.51 76.38 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.298 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.1 mt -83.85 -45.02 13.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.649 0.261 . . . . 0.0 111.077 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.6 t -66.52 -36.53 77.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.31 0.576 . . . . 0.0 109.701 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -90.74 54.38 2.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.382 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -26.7 67.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.475 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -93.3 137.34 32.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.525 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -59.07 123.03 15.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.923 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.3 tptp . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.802 179.619 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.489 ' OE2' ' HD2' ' B' ' 86' ' ' ARG . 15.3 tt0 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 121.108 0.48 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -57.84 -41.45 82.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.119 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -60.09 -40.78 90.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.622 0.248 . . . . 0.0 111.549 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 88.7 mt -66.38 -44.36 90.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.489 ' HD2' ' OE2' ' B' ' 82' ' ' GLU . 14.9 mtp180 -64.88 -35.28 80.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.339 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.98 -41.72 99.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.011 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.6 94.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.379 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -66.44 -34.8 78.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.484 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -65.31 -22.42 66.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.268 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 60.0 t -69.62 -38.03 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.423 . . . . 0.0 109.866 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -70.52 -30.52 67.31 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.157 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -72.97 125.39 27.49 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' B' ' 94' ' ' LYS . 0.6 OUTLIER -89.03 16.41 7.11 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.531 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -151.66 -51.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.429 . . . . 0.0 111.66 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.15 58.9 0.26 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -113.27 -27.93 7.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.936 0.398 . . . . 0.0 110.245 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.33 18.71 52.26 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' TYR . . . . . 0.778 ' HE2' HH12 ' A' ' 106' ' ' ARG . 2.3 m-85 -113.89 123.23 49.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.373 . . . . 0.0 110.173 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.2 pt -138.47 159.34 31.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.325 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.4 178.48 5.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.785 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.56 71.22 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.53 0.566 . . . . 0.0 112.53 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.55 -54.45 35.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.802 0.334 . . . . 0.0 111.281 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.576 ' O ' HG23 ' B' ' 108' ' ' VAL . 1.8 mp0 -64.31 -48.23 76.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.648 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.34 -51.03 63.75 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.704 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.47 ' HG3' HG11 ' B' ' 121' ' ' VAL . 18.5 ttt180 -60.36 -36.38 77.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.991 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -69.3 -30.26 68.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.49 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 104' ' ' GLU . 44.8 t -66.68 -42.64 89.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.963 0.411 . . . . 0.0 110.121 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 80.9 mtp -58.61 -48.57 80.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.276 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -28.47 63.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.331 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -70.34 -40.08 74.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.67 -26.11 67.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.201 0.524 . . . . 0.0 110.546 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.98 13.29 27.63 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.108 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -67.66 117.41 9.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.019 0.438 . . . . 0.0 110.026 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -80.54 65.57 5.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.678 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 tp -107.79 124.85 50.66 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.41 146.21 49.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.129 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.81 -35.86 64.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.42 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -60.66 -39.9 90.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.447 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -70.24 -43.31 70.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.445 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.47 HG11 ' HG3' ' B' ' 106' ' ' ARG . 46.6 t -60.24 -50.96 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.476 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.86 -37.76 85.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.183 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.52 -42.92 98.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.054 0.454 . . . . 0.0 110.279 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -43.44 92.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.632 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.51 HG23 HD12 ' B' ' 130' ' ' ILE . 98.8 mt -64.39 -30.09 49.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.272 179.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -68.61 -26.3 65.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.513 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.4 -30.46 57.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.61 157.26 19.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.886 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -104.49 95.52 5.98 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.558 0.694 . . . . 0.0 111.598 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.51 HD12 HG23 ' B' ' 125' ' ' ILE . 50.3 mt -117.18 -57.83 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -67.29 102.84 1.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 111.512 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 120.48 -3.96 12.19 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.402 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -126.68 -73.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 167.13 -163.08 36.84 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.175 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -64.01 156.31 28.43 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.852 0.358 . . . . 0.0 111.225 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 16.6 m -125.91 169.61 17.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.878 0.37 . . . . 0.0 111.257 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -101.33 140.34 35.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.286 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' TYR . . . . . 0.411 ' HE2' ' HG2' ' B' ' 86' ' ' ARG . 51.6 p90 -65.79 -23.18 66.65 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 139' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' B' ' 143' ' ' GLN . 4.3 tt0 -60.78 -34.78 75.01 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -58.93 -38.4 78.89 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.188 0.518 . . . . 0.0 110.441 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -71.14 -35.55 71.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.314 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.94 -42.13 93.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.879 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' B' ' 139' ' ' GLU . 72.5 mt-30 -61.05 -40.33 93.21 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.24 0.543 . . . . 0.0 110.141 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 3.0 ttm -68.05 -42.48 80.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 67.3 mtm -64.35 -30.4 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.874 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.1 p -85.09 -19.03 32.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.8 0.333 . . . . 0.0 111.436 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -90.5 -15.89 29.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.591 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.669 -0.681 . . . . 0.0 109.937 179.768 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.923 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.537 ' HD2' ' HG3' ' B' ' 104' ' ' GLU . 17.4 Cg_exo -68.13 88.22 0.39 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.86 2.373 . . . . 0.0 111.391 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.516 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -84.95 80.16 9.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.528 -179.356 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.94 79.28 0.04 OUTLIER Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.896 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -63.29 -23.96 67.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.371 0.605 . . . . 0.0 110.48 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 87.4 tttt -61.36 -32.5 72.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.686 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -69.49 -27.8 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.9 tpt -65.6 -50.86 63.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.601 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.91 -36.49 82.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.258 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.56 -46.78 88.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.536 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -66.15 -40.21 90.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.531 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -65.1 -47.89 75.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.8 -43.83 87.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.584 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -62.51 -35.16 78.51 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.017 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.34 -34.94 78.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.603 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.509 ' SD ' ' HE2' ' A' ' 44' ' ' LYS . 25.6 mmt -73.3 -39.83 65.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.381 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.439 ' HA ' ' HD2' ' A' ' 20' ' ' TYR . 4.7 p -77.9 -7.79 57.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -66.46 -25.66 66.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.842 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -87.7 11.56 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.172 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.439 ' HD2' ' HA ' ' A' ' 17' ' ' THR . 56.5 m-85 -119.94 157.79 28.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.091 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -111.58 153.22 26.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 67.84 7.18 5.56 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.579 0.549 . . . . 0.0 111.83 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.9 t -131.68 114.09 24.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.071 0.462 . . . . 0.0 111.141 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -138.08 106.22 5.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.455 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.4 mt -74.47 95.68 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.371 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -91.34 -44.62 9.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.039 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -124.51 144.62 50.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.404 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.98 34.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 0.0 111.907 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.9 m -153.38 -67.29 0.15 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.807 0.337 . . . . 0.0 110.836 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -38.69 92.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 m -73.95 -3.6 30.06 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -109.33 -0.29 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.615 0.245 . . . . 0.0 111.289 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -69.71 -10.95 60.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.896 0.379 . . . . 0.0 111.961 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 p -87.24 -24.25 24.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.072 0.463 . . . . 0.0 111.03 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.39 -30.85 3.0 Favored Glycine 0 C--O 1.229 -0.194 0 CA-C-N 116.098 -0.501 . . . . 0.0 113.249 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.9 mmm -57.68 -26.38 61.61 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.78 -39.31 80.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.768 0.318 . . . . 0.0 111.718 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.403 ' O ' HG12 ' A' ' 42' ' ' ILE . 75.8 m-85 -65.19 -48.2 74.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.014 0.435 . . . . 0.0 110.181 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -39.77 93.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.298 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.36 92.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.35 -44.29 88.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.233 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 38' ' ' PHE . 50.7 mm -64.52 -43.95 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.066 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -64.58 -27.78 69.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.364 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.509 ' HE2' ' SD ' ' A' ' 16' ' ' MET . 49.6 tptt -63.19 -39.89 95.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.124 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -95.66 -35.74 11.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -114.19 96.57 42.82 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.802 0.334 . . . . 0.0 111.45 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -72.8 -16.74 26.21 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.903 2.402 . . . . 0.0 111.292 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.67 -10.06 47.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.806 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -59.03 -67.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.01 0.433 . . . . 0.0 111.315 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -167.08 158.75 12.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.701 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 25.5 t0 -86.58 126.24 34.35 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.924 0.392 . . . . 0.0 110.209 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -71.87 -23.34 61.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.292 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.16 -25.03 51.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.801 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -82.95 -25.12 32.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.334 0.588 . . . . 0.0 110.45 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 51' ' ' ASP . 94.5 mt -69.7 141.25 53.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 1.8 p-10 -131.2 138.2 32.34 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.772 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 56' ' ' ASP . 51.1 Cg_exo -55.49 -28.64 65.35 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.687 2.925 . . . . 0.0 114.647 -178.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HB3' ' OD2' ' A' ' 56' ' ' ASP . . . -65.33 -36.49 84.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.029 0.442 . . . . 0.0 111.004 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -86.92 32.99 0.66 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.776 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -51.33 -30.52 18.69 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -62.32 -60.28 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.0 110.404 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -67.68 -30.03 69.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.387 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -60.02 -48.91 79.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.088 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.49 -41.2 93.8 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.927 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 m -63.51 -46.58 85.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.645 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.7 tp -61.75 -41.92 98.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.639 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.61 73.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.236 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -67.36 -45.4 76.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.2 p -61.16 -47.69 85.01 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.406 HG21 ' HB1' ' A' ' 49' ' ' ALA . 7.4 m -63.66 -39.12 93.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.674 0.274 . . . . 0.0 111.322 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.88 -31.34 72.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.418 0.628 . . . . 0.0 109.841 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -74.82 -37.67 62.24 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.269 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -74.6 -42.55 58.48 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.6 mt -93.34 7.3 44.98 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.28 -30.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 66.24 88.0 0.11 Allowed 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 10.5 m -106.57 -159.42 0.7 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.427 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -113.22 117.55 32.2 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -76.81 71.95 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.08 0.467 . . . . 0.0 111.188 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.5 mt -74.46 -42.54 58.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.295 0.569 . . . . 0.0 110.127 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.9 mt -98.43 156.63 16.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.87 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -122.86 146.75 47.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.295 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.6 t -56.62 -59.34 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.447 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -56.61 -49.16 75.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.421 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -56.62 -50.82 70.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.844 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.5 mtp -63.78 -37.55 87.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.963 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.24 -38.25 79.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.903 0.383 . . . . 0.0 110.674 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -72.09 -43.46 64.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.753 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.6 mt -78.91 -34.59 44.56 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.59 -53.17 0.7 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.471 0.708 . . . . 0.0 111.827 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.1 t -101.62 112.04 64.69 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.278 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.47 174.8 8.64 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.784 2.323 . . . . 0.0 111.71 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.586 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 15.2 t70 -85.35 149.3 25.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.796 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.2 m -63.28 -41.69 99.02 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.542 ' HB3' ' HB3' ' B' ' 95' ' ' ASP . 54.6 pttt -85.81 -23.06 27.34 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.586 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 91.2 m -63.85 -41.06 97.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 101' ' ' ILE . 40.9 t -76.32 -37.34 31.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.512 ' HB3' ' HA ' ' A' ' 95' ' ' LYS . 49.6 t80 -55.03 -47.7 74.39 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.899 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.659 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 8.2 m -61.32 -47.82 84.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.355 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -55.95 -41.28 74.45 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.075 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 97' ' ' VAL . 49.0 mm -65.92 -40.02 86.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.036 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -45.45 83.97 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.988 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 99' ' ' THR . 15.5 mm-40 -62.54 -38.77 91.29 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.274 0.559 . . . . 0.0 110.021 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 53.5 tp -68.5 -41.67 79.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.166 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.429 ' O ' HG23 ' A' ' 109' ' ' VAL . 71.0 t80 -57.47 -45.23 85.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.371 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.487 ' HD3' ' CG ' ' B' ' 133' ' ' ASP . 27.5 ttp180 -56.09 -45.72 79.3 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.214 0.53 . . . . 0.0 110.463 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.6 m -61.34 -39.85 92.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 61.9 mt -68.15 -35.12 77.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.037 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 105' ' ' TYR . 83.4 t -70.52 -48.12 61.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.478 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -67.63 -20.11 65.29 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -87.02 -12.66 46.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.313 0.577 . . . . 0.0 110.243 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.75 15.18 73.76 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.792 -0.64 . . . . 0.0 113.041 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 98.4 mt -75.94 -36.84 59.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.008 0.432 . . . . 0.0 110.933 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 48.3 t -74.31 -27.36 21.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.29 0.566 . . . . 0.0 109.99 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -87.26 45.07 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.419 0.628 . . . . 0.0 110.697 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -100.54 18.92 17.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.567 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -83.23 21.7 1.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.141 0.496 . . . . 0.0 111.226 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -106.73 158.24 17.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.548 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 50.1 tptt . . . . . 0 C--O 1.247 0.954 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.513 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 121.129 0.49 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -62.17 -30.5 71.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.439 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -55.14 -50.91 68.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.035 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 33.3 mt -64.52 -40.79 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.592 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -62.36 -44.6 96.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.614 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.474 ' O ' HG23 ' B' ' 91' ' ' VAL . 7.3 tp10 -68.25 -39.6 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.724 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.18 -47.12 84.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.289 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -69.49 -30.34 68.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -63.28 -30.09 71.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.504 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 87' ' ' GLU . 19.2 t -68.14 -27.62 37.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.989 0.423 . . . . 0.0 110.776 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' PHE . . . . . 0.441 ' HA ' ' CB ' ' A' ' 3' ' ' LEU . 28.1 m-85 -72.29 -41.93 66.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -66.32 155.37 37.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.21 -2.79 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.542 ' HB3' ' HB3' ' A' ' 95' ' ' LYS . 1.1 m-20 -143.82 -17.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.84 64.63 1.14 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -123.16 -34.77 3.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' GLY . . . . . 0.567 ' HA2' ' HE1' ' B' ' 138' ' ' TYR . . . 95.41 12.59 53.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.927 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 99' ' ' TYR . . . . . 0.517 ' HB3' ' HG2' ' B' ' 135' ' ' GLN . 4.4 m-30 -95.43 107.92 20.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.431 0.158 . . . . 0.0 111.0 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.693 HG12 ' HB3' ' B' ' 138' ' ' TYR . 1.8 pp -119.51 142.32 35.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.589 0.233 . . . . 0.0 110.833 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.03 144.57 38.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.773 0.321 . . . . 0.0 111.132 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.1 82.01 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.69 -37.94 77.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.147 0.498 . . . . 0.0 110.692 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.608 ' O ' HG23 ' B' ' 108' ' ' VAL . 2.5 mp0 -80.44 -41.18 24.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.182 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 24.3 tp -54.5 -44.48 72.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.395 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.828 ' HG3' HG11 ' B' ' 121' ' ' VAL . 12.7 ttt180 -64.13 -29.38 70.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.03 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' HIS . . . . . 0.493 ' O ' ' HB2' ' B' ' 111' ' ' ASN . 3.4 t-80 -85.65 -23.37 27.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.318 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 104' ' ' GLU . 85.8 t -66.48 -48.55 80.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.744 0.307 . . . . 0.0 110.503 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' MET . . . . . 0.499 ' O ' ' HB2' ' B' ' 114' ' ' GLU . 83.7 mtp -58.54 -42.23 87.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.317 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.64 -32.1 67.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.088 0.471 . . . . 0.0 110.85 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' B' ' 107' ' ' HIS . 1.0 OUTLIER -73.14 -29.09 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.041 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' ' 108' ' ' VAL . 82.0 mt -71.87 -9.42 58.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.432 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.5 27.29 18.04 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.175 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' B' ' 109' ' ' MET . 2.9 mm-40 -83.54 164.5 19.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.703 0.287 . . . . 0.0 110.418 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -126.58 28.99 5.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.205 0.526 . . . . 0.0 111.314 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' B' ' 120' ' ' GLU . 14.1 tp -70.63 132.01 44.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.377 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.18 152.43 40.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.706 0.288 . . . . 0.0 111.246 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -59.06 -40.79 86.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.156 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -60.85 -36.63 79.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.722 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.421 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 47.7 mm-40 -61.39 -40.51 94.62 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.932 0.396 . . . . 0.0 110.181 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.828 HG11 ' HG3' ' B' ' 106' ' ' ARG . 19.8 t -62.59 -44.05 99.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.347 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -40.14 96.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -60.08 -45.99 91.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.056 0.455 . . . . 0.0 109.908 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 63.3 mtt -66.26 -34.46 78.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.459 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.765 HG23 HD12 ' B' ' 130' ' ' ILE . 34.9 mt -65.5 -38.52 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.142 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -71.88 -22.76 61.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.437 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -88.87 -9.35 51.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.259 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -113.36 161.16 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.291 0.567 . . . . 0.0 112.244 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -85.68 89.68 7.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.266 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.765 HD12 HG23 ' B' ' 125' ' ' ILE . 40.3 mt -115.16 -65.84 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.259 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -66.46 131.78 46.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.78 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.25 -21.04 46.19 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.777 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' ASP . . . . . 0.487 ' CG ' ' HD3' ' A' ' 106' ' ' ARG . 2.1 t0 -104.98 -65.23 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.153 0.502 . . . . 0.0 110.309 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 134.95 -66.02 0.57 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.973 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' GLN . . . . . 0.517 ' HG2' ' HB3' ' B' ' 99' ' ' TYR . 0.1 OUTLIER -106.53 155.9 19.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.837 0.351 . . . . 0.0 110.833 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 1.3 t -117.03 151.42 18.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -86.24 108.78 18.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.305 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' TYR . . . . . 0.693 ' HB3' HG12 ' B' ' 100' ' ' ILE . 24.8 p90 -60.48 -27.73 67.79 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.63 -39.73 68.26 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.817 0.342 . . . . 0.0 111.751 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -63.78 -26.8 68.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.08 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -92.26 -42.24 9.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.422 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 93.8 t -59.8 -47.99 89.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.084 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -68.51 -32.66 72.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.252 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 40.7 ttm -68.73 -47.94 65.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.776 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 63.4 mtm -61.4 -36.54 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.769 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 3.6 p -82.01 1.8 33.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -110.53 3.51 19.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.382 0.61 . . . . 0.0 109.566 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.422 -179.78 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.67 21.03 0.81 Allowed 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.933 2.422 . . . . 0.0 112.176 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.5 mt -113.75 2.78 15.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.656 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.08 128.28 3.99 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.739 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 p -62.25 -41.53 98.52 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -63.62 -36.2 83.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.655 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -67.07 -35.73 80.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -60.69 -49.81 76.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.014 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.0 mt -66.04 -35.76 81.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.0 tp -65.17 -43.35 92.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.62 -42.58 99.09 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.665 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -61.63 -46.84 88.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.8 m -69.64 -39.55 77.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -54.98 -38.62 68.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.345 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.8 95.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.918 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.8 ptp -83.9 -18.34 37.73 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.48 HG21 ' H ' ' A' ' 25' ' ' ILE . 41.8 m -64.82 -30.93 71.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.324 0.583 . . . . 0.0 110.036 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -67.91 -15.05 63.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.738 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -88.11 -1.52 58.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 110.559 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -117.46 151.61 36.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -110.61 148.28 32.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.75 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.6 t60 69.73 14.23 8.11 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.689 0.618 . . . . 0.0 111.259 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -130.07 115.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.778 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -128.88 93.77 3.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.003 0.43 . . . . 0.0 110.594 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.552 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 67.4 mt -84.48 100.36 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.079 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -105.02 -15.91 14.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.488 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -161.97 165.34 27.59 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.547 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 88.3 m-85 -90.21 57.1 3.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.922 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 p -158.32 -84.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.48 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -57.54 -41.62 81.29 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.552 ' CB ' ' HA ' ' A' ' 25' ' ' ILE . 10.0 m -69.63 -8.08 44.44 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.431 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 70.1 m95 -110.29 -5.42 15.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.794 0.331 . . . . 0.0 111.358 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.6 m -67.15 -18.77 65.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.1 -16.04 58.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.032 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.1 -47.04 2.81 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.236 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.3 mmm -48.54 -33.18 9.16 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.19 -34.69 64.1 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.45 ' O ' HG12 ' A' ' 42' ' ' ILE . 67.4 m-85 -64.19 -52.8 57.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.978 0.418 . . . . 0.0 110.77 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.7 m -66.87 -31.79 72.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.766 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.54 97.85 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 110.376 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 tp -68.15 -42.43 80.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.779 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 38' ' ' PHE . 51.8 mm -61.55 -46.0 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.004 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -68.03 -19.96 64.95 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -68.71 -34.65 76.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.37 . . . . 0.0 110.094 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -98.0 -35.29 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.476 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -114.39 100.41 52.87 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.849 0.357 . . . . 0.0 111.466 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.9 -39.15 3.47 Favored 'Trans proline' 0 CA--C 1.528 0.178 0 C-N-CA 123.039 2.493 . . . . 0.0 111.947 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -81.85 15.87 2.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.156 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.731 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -81.69 -58.67 2.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.853 0.358 . . . . 0.0 111.371 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -169.77 169.61 8.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.783 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -95.67 116.37 28.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -72.34 -27.34 62.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.119 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.71 -17.05 62.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.09 0.471 . . . . 0.0 110.447 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -95.81 10.89 35.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.806 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.0 mt -105.86 132.82 51.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.191 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -108.05 150.07 39.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.07 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.89 -17.58 56.02 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.543 2.162 . . . . 0.0 110.99 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.07 -8.46 59.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.019 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -105.19 38.39 1.96 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.038 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -56.79 -43.85 81.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.097 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -58.9 -48.54 81.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.011 0.434 . . . . 0.0 110.097 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -38.62 91.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.372 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -56.59 -48.67 76.9 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.799 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -61.81 -43.44 98.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.486 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -64.7 -46.74 81.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.004 0.43 . . . . 0.0 110.136 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.51 -49.32 78.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.56 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.39 -53.48 56.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.902 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -62.79 -52.11 64.48 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.0 m -59.3 -47.55 84.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.731 HG21 ' HB1' ' A' ' 49' ' ' ALA . 14.6 m -63.38 -40.6 97.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.748 0.308 . . . . 0.0 111.098 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.42 -39.06 88.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 110.581 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 4.0 tt0 -71.39 -33.16 69.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.175 0.512 . . . . 0.0 110.898 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -75.92 -31.07 58.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.937 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.6 mt -99.35 -52.1 3.6 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.03 0.5 25.68 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 5.5 p-10 41.63 54.72 3.7 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 7.7 p -79.68 163.31 24.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.58 139.4 35.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.344 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -80.43 86.06 5.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.686 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.2 mt -79.55 -14.8 58.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.664 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.1 mt -132.62 159.5 39.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.652 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.591 ' HB2' ' HB3' ' A' ' 85' ' ' ASP . 57.4 mt-10 -115.38 153.67 30.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.644 0.259 . . . . 0.0 111.069 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.71 -57.36 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.547 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.8 -36.75 74.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.702 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 1.1 t70 -63.04 -53.18 57.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.042 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.414 ' CE ' ' HA ' ' A' ' 86' ' ' MET . 19.0 mmt -61.3 -40.92 95.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.632 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.97 -38.69 83.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.824 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.3 ttp-105 -77.04 -52.07 9.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.041 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -42.95 86.45 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.45 ' O ' ' HD3' ' A' ' 92' ' ' PRO . . . 72.83 -46.25 0.64 Allowed 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.74 104.29 30.29 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 90' ' ' ALA . 7.8 Cg_exo -74.12 147.97 38.89 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.811 2.341 . . . . 0.0 112.318 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.578 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 18.5 t0 -73.77 137.24 43.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.615 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.3 t -60.19 -30.59 69.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.421 ' HG3' ' OD2' ' B' ' 95' ' ' ASP . 28.6 tttp -72.63 -40.85 66.1 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.132 0.491 . . . . 0.0 110.916 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.578 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 55.8 m -65.51 -45.91 81.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.187 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' A' ' 28' ' ' PHE . 21.3 t -68.68 -41.63 82.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.493 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -56.45 -52.4 64.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.89 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.8 m -62.02 -35.78 79.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.441 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.26 -45.84 89.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.864 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.3 mm -73.98 -31.51 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.146 0.498 . . . . 0.0 109.999 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -55.93 -55.14 36.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.001 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.83 -38.99 73.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.398 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.32 -41.44 89.11 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.662 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.524 ' O ' HG23 ' A' ' 109' ' ' VAL . 83.5 t80 -60.4 -40.32 90.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.245 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.569 ' HG2' ' H ' ' B' ' 135' ' ' GLN . 82.7 mtp180 -61.01 -46.88 88.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 m -59.7 -33.35 71.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.081 0.467 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.2 mt -75.79 -25.34 56.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.685 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 105' ' ' TYR . 92.2 t -74.48 -46.21 43.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.593 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.403 ' H ' ' HG2' ' A' ' 110' ' ' GLN . 1.3 pt20 -63.91 -30.35 71.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.974 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -82.98 -13.18 56.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.778 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 73.09 38.56 54.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.946 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 95.0 mt -99.22 -17.95 17.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.1 t -76.41 -40.09 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -84.94 62.05 7.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.001 0.429 . . . . 0.0 110.647 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -26.44 60.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.723 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -115.23 111.08 20.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.438 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -104.13 97.94 7.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.042 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.161 179.919 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.843 0.354 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.29 -30.99 61.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.856 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -59.26 -32.97 70.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.98 -42.56 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.067 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.439 ' HG3' ' CE2' ' B' ' 138' ' ' TYR . 54.3 ttt180 -65.33 -39.36 92.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.041 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.499 ' O ' HG23 ' B' ' 91' ' ' VAL . 38.9 mt-10 -67.07 -32.86 74.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.812 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.48 96.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.984 0.421 . . . . 0.0 109.933 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -71.63 -33.34 68.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.804 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -60.47 -33.24 72.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.554 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 87' ' ' GLU . 89.8 t -62.87 -37.5 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.041 0.448 . . . . 0.0 110.829 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -72.03 -37.37 69.76 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.568 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -67.42 137.07 55.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' B' ' 94' ' ' LYS . 44.8 mmtm -113.31 7.6 17.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.421 ' OD2' ' HG3' ' A' ' 95' ' ' LYS . 9.6 t70 -132.43 -25.08 1.98 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.155 0.502 . . . . 0.0 111.002 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.24 43.05 5.71 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.771 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ASN . . . . . 0.704 ' HB3' ' HD2' ' B' ' 99' ' ' TYR . 4.3 m-20 -102.92 -36.37 8.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.094 0.473 . . . . 0.0 110.914 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 95.82 13.63 49.47 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.153 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' TYR . . . . . 0.704 ' HD2' ' HB3' ' B' ' 97' ' ' ASN . 58.7 m-85 -117.41 123.69 47.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.0 pt -139.82 179.73 2.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.4 p -98.93 171.59 7.96 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.661 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ALA . . . . . 0.652 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -65.72 -23.9 66.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.42 -50.8 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.237 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.577 ' O ' HG23 ' B' ' 108' ' ' VAL . 6.3 mp0 -67.76 -39.15 84.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.702 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 44.0 tp -54.05 -52.56 60.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.427 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -68.09 -31.15 70.57 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -65.5 -34.94 79.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 104' ' ' GLU . 58.9 t -71.02 -43.33 76.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 9.1 mtt -58.86 -45.8 89.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.491 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 2.0 p -74.31 -9.97 59.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.709 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -98.39 -12.29 21.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.14 0.495 . . . . 0.0 110.602 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 108' ' ' VAL . 86.2 mt -92.9 4.69 53.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.136 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.23 32.26 79.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.103 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -72.46 142.52 48.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.589 0.233 . . . . 0.0 110.667 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -96.38 18.26 14.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.284 0.564 . . . . 0.0 110.326 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.611 HD23 HG22 ' B' ' 121' ' ' VAL . 10.3 tp -77.28 120.27 22.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.219 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 121' ' ' VAL . 55.3 p -69.28 154.41 42.08 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.58 -34.99 65.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.557 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.542 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 1.6 mp0 -60.0 -45.97 91.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.093 178.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.443 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 38.6 mt-10 -63.88 -39.33 93.94 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.032 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.611 HG22 HD23 ' B' ' 116' ' ' LEU . 46.5 t -63.42 -42.92 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.446 179.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -59.82 -40.37 88.18 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.904 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 32.2 mt-10 -60.79 -48.04 83.61 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.903 178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 40.8 mtt -60.12 -43.49 95.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.862 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.626 HG23 HD12 ' B' ' 130' ' ' ILE . 90.0 mt -65.39 -34.94 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.427 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 26.0 ttm-85 -70.48 -25.0 62.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.341 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' B' ' 123' ' ' GLU . 36.3 mt-10 -80.74 -9.19 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.072 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -118.64 153.84 33.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.093 0.473 . . . . 0.0 110.419 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.95 68.85 10.68 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.207 0.527 . . . . 0.0 111.114 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.652 HG21 ' HB2' ' B' ' 102' ' ' ALA . 45.7 mt -96.84 -60.29 2.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.841 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.28 110.67 3.62 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 113.63 -14.44 22.4 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.658 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -105.15 -57.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.78 0.324 . . . . 0.0 110.54 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 133.22 -106.86 0.65 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.654 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' GLN . . . . . 0.569 ' H ' ' HG2' ' A' ' 106' ' ' ARG . 9.0 mm-40 -89.24 140.04 29.88 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 136' ' ' VAL . . . . . 0.622 HG11 HG12 ' B' ' 130' ' ' ILE . 15.5 m -130.63 165.13 31.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.837 0.351 . . . . 0.0 111.155 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 137' ' ' ASN . . . . . 0.529 ' OD1' ' HG2' ' B' ' 140' ' ' GLU . 25.7 p-10 -94.88 141.96 28.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.144 0.497 . . . . 0.0 111.005 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 138' ' ' TYR . . . . . 0.439 ' CE2' ' HG3' ' B' ' 86' ' ' ARG . 47.9 p90 -68.17 -24.87 65.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.752 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -54.05 -43.39 70.18 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' GLU . . . . . 0.529 ' HG2' ' OD1' ' B' ' 137' ' ' ASN . 12.3 mm-40 -60.62 -45.17 95.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.711 0.291 . . . . 0.0 111.032 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -39.99 92.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.075 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 77.8 t -62.2 -43.91 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.083 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -65.89 -33.28 75.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.261 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 82.7 mtp -70.89 -47.81 57.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 23.2 ptp -67.01 -24.78 66.06 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 16.5 p -87.36 -20.23 27.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.04 0.448 . . . . 0.0 110.721 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.49 -29.57 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.634 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.865 179.898 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -59.2 -51.27 6.87 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.006 2.47 . . . . 0.0 112.428 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.6 mt -84.28 71.6 10.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.807 0.337 . . . . 0.0 110.948 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.815 ' HA2' ' HD2' ' B' ' 94' ' ' LYS . . . -177.13 97.95 0.11 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.428 -0.891 . . . . 0.0 113.39 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -49.43 24.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.326 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.548 ' HE2' ' HB2' ' B' ' 95' ' ' ASP . 27.4 mttt -64.35 -29.41 70.48 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.554 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.43 -35.79 76.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.684 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.1 tpp -61.74 -53.1 60.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.7 mt -65.76 -36.5 83.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.818 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.46 -46.46 86.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.144 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -64.52 -44.86 89.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.3 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -59.23 -43.83 92.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.626 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -68.41 -49.66 58.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.693 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.559 ' HA ' HD12 ' A' ' 25' ' ' ILE . 35.0 ttm180 -58.26 -32.32 68.27 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.87 -17.96 64.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.4 mtm -117.47 -45.42 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.931 ' HB ' HD11 ' A' ' 25' ' ' ILE . 1.3 m -68.33 -11.84 60.15 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 19.4 ttm-85 -69.69 -13.89 62.53 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.438 0.637 . . . . 0.0 110.189 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -77.27 -11.84 59.88 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.464 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -92.57 127.83 38.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.458 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.1 mp0 -75.63 146.48 40.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.734 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 69.21 18.67 8.1 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.667 0.604 . . . . 0.0 110.86 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.3 t -123.07 117.47 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.654 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -116.0 149.27 39.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.931 HD11 ' HB ' ' A' ' 17' ' ' THR . 10.6 mt -129.45 96.96 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.856 0.36 . . . . 0.0 111.233 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -97.99 -51.24 4.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.233 0.54 . . . . 0.0 109.653 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -157.02 167.57 30.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.952 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.404 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 60.6 m-85 -77.57 48.24 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.636 0.255 . . . . 0.0 111.348 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 m -148.61 -81.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -60.89 -45.06 96.11 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.05 2.0 9.79 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.404 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 39.2 m95 -122.34 14.2 10.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.482 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.7 t -69.03 -31.89 71.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.479 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.3 p -79.28 -27.73 42.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.279 0.562 . . . . 0.0 110.604 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.12 -3.68 79.65 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.763 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.49 -30.53 71.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.421 . . . . 0.0 110.335 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.57 -33.25 72.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.251 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.41 ' O ' HG12 ' A' ' 42' ' ' ILE . 39.7 m-85 -63.21 -55.62 23.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.086 0.469 . . . . 0.0 110.032 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 41.9 m -63.45 -35.66 81.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.25 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.16 98.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.794 0.33 . . . . 0.0 110.683 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.4 tp -71.32 -46.74 59.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 38' ' ' PHE . 49.4 mm -61.18 -39.11 81.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.008 0.432 . . . . 0.0 110.768 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -64.22 -24.34 67.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.265 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -73.96 -28.88 61.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.022 0.439 . . . . 0.0 110.433 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -90.72 -39.42 12.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.639 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.43 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 78.2 m-85 -126.39 102.1 27.07 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.007 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.44 -29.29 25.61 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 122.848 2.365 . . . . 0.0 111.972 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -86.09 -0.81 56.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.376 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.755 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -62.55 -56.52 17.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.761 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -169.41 164.11 10.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.804 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.507 ' HB2' ' HB2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -94.1 111.88 23.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.985 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.561 ' HA ' HD12 ' A' ' 55' ' ' LEU . 89.4 t80 -69.38 -37.9 77.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.1 -21.76 66.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.072 0.463 . . . . 0.0 111.202 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 13.3 mm-40 -93.36 -1.45 55.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.366 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 52' ' ' TYR . 30.0 mt -79.81 136.41 36.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.012 0.434 . . . . 0.0 110.981 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.441 ' HB2' ' HE2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -101.69 121.87 49.63 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.46 179.532 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.412 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 19.2 Cg_endo -60.14 -21.56 66.4 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.705 2.27 . . . . 0.0 112.593 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.97 -7.2 55.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.159 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 56' ' ' ASP . 55.4 mtmt -115.93 49.84 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.812 0.339 . . . . 0.0 110.379 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 57' ' ' PRO . 54.2 mtm180 -57.07 -33.53 67.36 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.14 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.7 mtm105 -59.51 -45.34 91.99 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.906 0.384 . . . . 0.0 110.272 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -74.37 -34.84 63.47 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -59.02 -53.95 52.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.86 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -59.24 -44.51 92.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.715 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.7 m -60.64 -45.46 94.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.6 tp -61.95 -41.63 98.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.535 -179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.65 -54.61 43.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.436 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -62.22 -51.32 68.25 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.3 p -56.48 -48.62 76.72 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.755 HG21 ' HB1' ' A' ' 49' ' ' ALA . 13.6 m -65.65 -40.03 92.03 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.574 0.226 . . . . 0.0 111.242 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.37 -43.52 98.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.168 0.509 . . . . 0.0 109.943 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.49 ' HA ' ' H ' ' A' ' 77' ' ' CYS . 31.6 tt0 -70.55 -41.42 72.5 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.648 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 73' ' ' LYS . 31.1 tptt -67.44 -33.26 74.78 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.8 mt -100.99 -33.74 10.05 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.6 1.24 12.23 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 t70 55.39 45.0 26.27 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.089 0.471 . . . . 0.0 111.456 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.49 ' H ' ' HA ' ' A' ' 72' ' ' GLU . 46.7 m -72.7 152.71 41.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.057 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.17 142.09 33.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.511 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -79.8 76.51 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.002 0.43 . . . . 0.0 110.27 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 100' ' ' TYR . 94.6 mt -82.41 -14.9 54.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.328 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.6 mt -136.53 147.26 46.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.157 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -110.54 142.06 42.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.533 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.57 -56.31 18.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.82 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -60.06 -30.64 69.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.105 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.638 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 2.1 t0 -76.56 -48.95 17.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.754 0.311 . . . . 0.0 110.692 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 83.3 mtp -58.78 -48.04 82.61 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.0 t -60.9 -35.36 64.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.137 0.494 . . . . 0.0 110.329 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -69.4 -40.54 77.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 85' ' ' ASP . 55.3 mt -73.39 -31.46 63.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.053 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.93 -50.38 0.69 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.405 0.682 . . . . 0.0 111.797 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.5 t -110.7 104.88 56.71 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.35 144.97 63.91 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.932 2.421 . . . . 0.0 112.484 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' OD2' ' HB3' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -71.0 136.35 48.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.29 179.335 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 m -60.72 -27.82 68.19 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.42 ' HB3' ' OD2' ' A' ' 93' ' ' ASP . 49.6 tttp -72.08 -48.35 44.76 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.696 0.284 . . . . 0.0 111.41 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.1 m -58.15 -45.39 87.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.75 -42.6 89.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.421 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -58.38 -50.91 71.96 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.718 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.0 m -59.38 -41.64 89.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.406 ' HA ' HD12 ' A' ' 80' ' ' LEU . 58.2 t80 -60.96 -49.65 76.57 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.279 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.52 -36.33 70.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.555 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.55 -52.47 65.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.21 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.89 -36.47 83.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.774 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 49.8 tp -66.12 -34.54 78.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.263 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.521 ' HA ' HD12 ' A' ' 108' ' ' LEU . 54.3 t80 -59.4 -33.31 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.265 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.499 ' HA ' ' HA3' ' B' ' 134' ' ' GLY . 41.2 mtp180 -67.96 -30.54 69.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.075 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 m -79.65 -8.07 58.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.394 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 105' ' ' TYR . 36.4 mt -96.24 -39.49 9.64 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.667 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.601 ' HB ' ' O ' ' B' ' 133' ' ' ASP . 59.1 t -64.05 -40.85 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 120.894 0.378 . . . . 0.0 111.036 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.427 ' OE1' ' HE2' ' A' ' 111' ' ' LYS . 3.8 pt20 -64.6 -29.85 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.581 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.427 ' HE2' ' OE1' ' A' ' 110' ' ' GLN . 73.1 mmtt -86.03 -7.86 58.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.117 0.484 . . . . 0.0 110.541 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.91 15.4 81.68 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.297 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.66 -35.02 76.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.887 0.375 . . . . 0.0 110.711 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 22.6 t -76.3 -18.62 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.682 0.753 . . . . 0.0 109.247 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -94.1 46.01 1.16 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.77 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.81 -23.01 67.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.219 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -104.86 137.74 42.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -54.97 128.36 33.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.294 0.569 . . . . 0.0 111.887 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.6 tptp . . . . . 0 C--O 1.246 0.88 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.313 -179.702 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.885 0.374 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 27.5 mp0 -58.66 -33.52 70.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.321 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -59.95 -32.11 70.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.44 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.93 -48.17 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.429 ' HD2' HH11 ' B' ' 86' ' ' ARG . 20.6 ttt180 -66.5 -39.51 88.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.066 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.519 ' O ' HG23 ' B' ' 91' ' ' VAL . 3.6 mm-40 -60.03 -37.08 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.44 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.196 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -69.14 -31.42 70.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.761 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -63.99 -30.22 71.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.765 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 87' ' ' GLU . 88.2 t -73.91 -30.43 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.414 0.626 . . . . 0.0 109.642 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' PHE . . . . . 0.41 ' CE1' HG22 ' B' ' 108' ' ' VAL . 19.1 m-85 -76.5 -45.11 32.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.586 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -81.2 105.45 12.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.113 0.482 . . . . 0.0 109.82 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.815 ' HD2' ' HA2' ' A' ' 4' ' ' GLY . 33.5 mttt -93.25 12.13 25.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.994 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.548 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 18.8 t70 -122.23 -42.44 2.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.077 0.465 . . . . 0.0 111.886 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.2 43.03 3.59 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.58 -26.56 13.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.308 -0.446 . . . . 0.0 110.46 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.03 10.99 68.23 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.358 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' TYR . . . . . 0.442 ' CD1' ' HB3' ' B' ' 135' ' ' GLN . 70.9 m-85 -110.05 134.06 52.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.561 0.219 . . . . 0.0 110.715 -179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.4 pt -141.11 148.55 21.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.04 148.41 48.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.964 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.66 81.62 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.34 93.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.704 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.56 ' O ' HG23 ' B' ' 108' ' ' VAL . 0.8 OUTLIER -68.52 -36.2 78.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.718 179.69 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 11.0 tp -58.4 -51.21 70.8 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.597 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -65.04 -28.33 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.331 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -65.93 -34.67 78.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.264 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 104' ' ' GLU . 19.9 t -74.12 -43.16 51.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.731 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 91.1 mtp -57.11 -44.6 83.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 2.6 p -73.03 -33.72 65.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -64.62 -34.87 79.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.1 -27.36 68.87 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.371 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.71 20.81 38.95 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -70.53 131.61 44.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -86.89 75.09 9.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.168 0.509 . . . . 0.0 111.74 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -123.78 154.74 39.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.214 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 64.0 p -84.01 154.74 23.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.057 0.456 . . . . 0.0 111.402 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -64.28 -30.23 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.91 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 16.0 mp0 -62.08 -42.16 98.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.772 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' B' ' 124' ' ' MET . 34.3 mt-10 -62.28 -43.32 99.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.375 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 16.2 t -66.19 -39.36 84.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.32 -34.59 74.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.785 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 22.7 mt-10 -73.23 -35.31 66.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.418 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' B' ' 120' ' ' GLU . 44.4 mtt -64.89 -34.8 79.26 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.633 ' HA ' HD13 ' B' ' 130' ' ' ILE . 93.7 mt -65.34 -25.04 36.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.832 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -92.11 -1.84 56.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.606 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.44 -42.19 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.801 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.88 167.08 11.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.372 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -86.98 85.08 7.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.137 0.494 . . . . 0.0 111.998 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.633 HD13 ' HA ' ' B' ' 125' ' ' ILE . 1.8 mp -87.35 -64.92 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.805 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -95.65 164.5 12.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.4 -8.22 65.44 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' ASP . . . . . 0.601 ' O ' ' HB ' ' A' ' 109' ' ' VAL . 21.7 t70 -117.56 -94.19 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.985 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 134' ' ' GLY . . . . . 0.499 ' HA3' ' HA ' ' A' ' 106' ' ' ARG . . . 155.77 -26.71 0.58 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.361 -0.924 . . . . 0.0 112.857 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 135' ' ' GLN . . . . . 0.442 ' HB3' ' CD1' ' B' ' 99' ' ' TYR . 7.2 mm-40 -143.79 136.58 27.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.845 0.355 . . . . 0.0 111.072 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 17.2 t -107.55 134.09 50.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.043 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -77.35 120.49 22.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.907 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' TYR . . . . . 0.421 ' O ' HG23 ' B' ' 142' ' ' VAL . 0.8 OUTLIER -63.39 -35.08 79.24 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -178.349 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -57.38 -41.33 79.99 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.29 -50.61 70.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.848 0.356 . . . . 0.0 111.429 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -64.69 -34.83 79.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.617 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 142' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 138' ' ' TYR . 71.6 t -63.16 -45.59 98.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.31 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -66.3 -39.56 89.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.779 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' MET . . . . . 0.408 ' O ' ' HG3' ' B' ' 148' ' ' LYS . 98.8 mtp -62.84 -47.56 82.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.22 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 19.4 ptp -69.09 -19.0 64.05 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.3 p -92.06 -7.18 49.44 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.859 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -116.55 23.5 11.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.087 0.47 . . . . 0.0 110.984 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 148' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 144' ' ' MET . 66.0 mttm . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.669 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.907 0 N-CA-C 112.212 -0.355 . . . . 0.0 112.212 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.609 ' HB3' ' HD1' ' B' ' 92' ' ' PHE . 32.1 Cg_exo -59.15 -55.38 1.93 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.071 2.514 . . . . 0.0 112.267 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.5 mt -86.12 25.27 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.196 0.522 . . . . 0.0 111.073 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.12 31.16 1.32 Allowed Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -56.15 25.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.084 0.469 . . . . 0.0 110.999 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -68.34 -36.06 78.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.656 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -63.38 -41.62 98.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.208 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 tpt -62.42 -44.61 96.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.985 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.91 -39.8 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.866 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.27 -42.99 87.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.54 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -67.2 -37.07 83.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.0 110.518 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -60.92 -52.8 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.26 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 p -68.22 -30.94 70.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.892 0.377 . . . . 0.0 111.105 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -64.27 -35.63 81.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.992 0.425 . . . . 0.0 110.372 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 -27.27 58.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.642 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.1 mmt -82.12 -22.36 36.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.265 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 t -92.03 -2.07 56.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.195 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -67.33 -25.1 65.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.069 0.461 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -94.25 4.51 53.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.287 0.565 . . . . 0.0 110.386 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.404 ' HE2' ' HG2' ' A' ' 44' ' ' LYS . 9.5 m-85 -118.21 101.54 8.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.57 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 23.9 mm-40 -70.25 158.26 36.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.412 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 52.7 t60 79.92 -47.39 0.34 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.738 -178.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 t -72.71 97.03 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.975 0.416 . . . . 0.0 110.243 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -107.04 100.64 10.12 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.119 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.465 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 65.5 mt -78.4 106.97 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.995 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -100.51 -45.65 5.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.476 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -146.64 166.96 24.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.381 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.401 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 62.7 m-85 -79.54 55.04 1.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.9 0.381 . . . . 0.0 111.123 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.574 ' HA ' ' HG2' ' A' ' 92' ' ' PRO . 33.2 t -162.38 -71.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.872 0.368 . . . . 0.0 111.299 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -48.31 74.12 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' A' ' 25' ' ' ILE . 1.8 m -76.68 -1.32 27.21 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.401 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.1 m95 -115.51 13.51 16.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.778 0.323 . . . . 0.0 110.245 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.1 p -66.45 -44.32 83.12 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.73 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.75 ' HB2' ' HG2' ' A' ' 36' ' ' MET . 0.0 OUTLIER -83.15 -16.04 48.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.162 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' HA2' ' HD2' ' A' ' 38' ' ' PHE . . . 80.39 -2.78 75.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.858 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.75 ' HG2' ' HB2' ' A' ' 34' ' ' SER . 80.9 mmm -56.54 -37.92 71.16 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.823 0.345 . . . . 0.0 111.153 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.88 -35.23 76.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.444 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.418 ' HD2' ' HA2' ' A' ' 35' ' ' GLY . 62.7 m-85 -64.95 -53.27 48.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.3 m -59.5 -40.35 86.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.005 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.46 81.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.09 -46.24 89.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.265 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.8 mm -63.38 -44.4 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.968 0.413 . . . . 0.0 110.647 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -66.41 -25.98 67.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.606 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -68.01 -26.18 65.76 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.699 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.61 ' HB3' HD13 ' A' ' 113' ' ' LEU . 85.4 m-85 -109.17 -29.55 8.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.517 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -116.83 89.0 27.63 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.853 0.359 . . . . 0.0 110.272 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.88 -22.48 56.07 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.803 2.336 . . . . 0.0 112.188 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -97.03 10.67 38.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.975 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.71 -62.36 1.48 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.147 0.499 . . . . 0.0 110.515 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -162.96 167.4 22.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.41 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.684 ' HB3' ' HB2' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -94.09 110.76 22.45 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.776 0.322 . . . . 0.0 110.99 -179.502 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -71.51 -31.56 67.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.071 0.463 . . . . 0.0 110.341 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.57 -20.61 64.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.165 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.684 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 0.6 OUTLIER -94.17 -2.76 52.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.885 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.7 mt -83.08 165.91 19.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.854 0.359 . . . . 0.0 111.188 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -154.36 141.18 13.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -50.26 -23.77 10.47 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.554 2.836 . . . . 0.0 113.74 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.19 67.77 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.122 0.487 . . . . 0.0 110.769 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -94.84 28.51 2.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.233 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -51.29 -42.36 61.09 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.51 -28.47 67.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.11 -19.64 21.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.592 0.234 . . . . 0.0 111.569 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -58.39 -46.39 86.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.603 ' HB2' HG13 ' A' ' 83' ' ' VAL . 80.3 m-85 -59.81 -46.03 90.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.901 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -50.47 73.04 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.9 tp -56.45 -47.61 78.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.258 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.71 -52.16 64.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.567 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -65.22 -57.23 9.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.1 m -55.21 -43.6 74.6 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.2 m -68.16 -39.04 82.7 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.593 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.53 95.12 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -67.4 -16.75 64.41 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.106 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -95.11 -41.46 9.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.855 0.36 . . . . 0.0 111.236 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.6 mt -80.87 -48.25 12.64 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -108.61 -23.64 11.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.0 t0 68.13 68.76 0.33 Allowed 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.838 0.711 . . . . 0.0 111.093 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.6 p -88.26 166.1 14.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.686 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.4 128.42 33.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.444 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -78.19 68.9 4.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.393 0.616 . . . . 0.0 110.947 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.4 mt -88.91 -4.39 58.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.373 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.7 mt -119.27 126.32 51.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.784 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.76 129.18 34.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.675 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.603 HG13 ' HB2' ' A' ' 64' ' ' PHE . 49.1 t -63.86 -68.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.404 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -57.57 -39.51 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.087 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -60.25 -41.81 93.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.709 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 80.7 mtp -71.26 -32.66 68.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.734 0.302 . . . . 0.0 110.811 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 83' ' ' VAL . 90.3 t -62.8 -51.32 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.253 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -68.22 -38.42 81.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.812 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.45 -45.03 81.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.562 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.81 -43.75 0.57 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.743 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 36.7 t -106.13 100.99 31.82 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.574 ' HG2' ' HA ' ' A' ' 29' ' ' SER . 77.9 Cg_endo -79.98 170.55 16.44 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.47 2.113 . . . . 0.0 111.817 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -99.41 135.83 40.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.437 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.5 m -60.03 -29.88 68.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.243 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.415 ' HG2' ' OD2' ' B' ' 95' ' ' ASP . 8.3 tmtm? -67.06 -41.65 86.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.233 0.54 . . . . 0.0 110.35 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.1 m -71.86 -39.9 69.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.602 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' ILE . 59.0 t -65.76 -45.68 91.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.491 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -55.71 -45.37 77.89 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 48.3 m -57.63 -43.49 84.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.477 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -68.6 -47.5 66.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.079 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 97' ' ' VAL . 44.4 mm -59.76 -39.92 81.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.08 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -60.33 -50.52 73.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.297 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.37 -35.38 80.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.672 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.43 -38.98 92.93 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.513 ' O ' HG23 ' A' ' 109' ' ' VAL . 23.2 t80 -67.85 -31.21 70.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.726 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.756 ' HD3' ' HB2' ' B' ' 135' ' ' GLN . 8.8 mtm180 -57.51 -44.51 85.08 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.745 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -73.7 -35.24 65.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.481 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.79 -31.41 72.38 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.535 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 105' ' ' TYR . 79.6 t -65.78 -52.87 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.39 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.509 ' HG2' ' H ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -65.46 -35.08 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.408 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -70.8 -30.35 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.114 0.483 . . . . 0.0 110.487 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.16 28.44 60.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.533 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.61 HD13 ' HB3' ' A' ' 45' ' ' PHE . 23.7 mt -81.51 -18.51 44.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.918 0.39 . . . . 0.0 111.456 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 26.0 t -82.21 -32.56 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.0 0.429 . . . . 0.0 110.805 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.416 ' HB2' ' HE2' ' A' ' 115' ' ' LYS . 7.3 ptmm? -83.9 33.31 0.48 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.83 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.4 t -101.69 -0.1 35.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.517 0.675 . . . . 0.0 110.268 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -82.48 -35.01 27.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.853 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -97.26 161.59 13.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.864 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.353 -0.832 . . . . 0.0 109.582 178.91 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.437 0.636 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.29 -34.3 70.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.02 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' B' ' 84' ' ' GLU . 28.4 mp0 -60.42 -35.88 76.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.53 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.2 mt -70.19 -43.13 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.056 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -64.29 -41.07 97.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.295 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.456 ' O ' HG23 ' B' ' 91' ' ' VAL . 96.7 mt-10 -64.14 -37.35 87.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.67 90.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.989 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -66.55 -33.46 75.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.339 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -69.72 -14.15 62.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.728 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 87' ' ' GLU . 72.6 t -69.87 -33.47 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' PHE . . . . . 0.609 ' HD1' ' HB3' ' A' ' 2' ' ' PRO . 76.7 m-85 -86.91 -15.21 39.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.135 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -92.64 100.79 13.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -74.36 26.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.415 ' OD2' ' HG2' ' A' ' 95' ' ' LYS . 25.6 t70 -159.03 -42.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.992 0.425 . . . . 0.0 111.454 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.89 54.49 0.92 Allowed Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -104.7 -32.49 8.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.767 0.318 . . . . 0.0 111.477 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' GLY . . . . . 0.61 ' HA2' ' CZ ' ' B' ' 138' ' ' TYR . . . 107.67 15.19 15.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.567 -0.825 . . . . 0.0 113.741 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -127.54 128.56 45.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.195 0.498 . . . . 0.0 111.626 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.701 HG12 ' HD2' ' B' ' 138' ' ' TYR . 20.6 pt -136.6 -179.78 3.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.433 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.67 153.77 34.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.229 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.67 -36.43 84.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.23 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.02 -46.6 80.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.138 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.526 ' O ' HG23 ' B' ' 108' ' ' VAL . 1.3 mp0 -61.41 -42.37 98.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.108 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 35.4 tp -53.51 -51.71 61.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.741 ' HD3' HD11 ' B' ' 125' ' ' ILE . 61.9 mtm180 -66.65 -36.27 82.16 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.188 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -64.52 -40.21 95.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.14 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 104' ' ' GLU . 78.4 t -67.71 -41.92 85.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.906 0.384 . . . . 0.0 110.145 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.27 -42.27 90.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.503 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.82 -35.71 62.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.0 0.428 . . . . 0.0 110.717 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -64.6 -31.28 72.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 108' ' ' VAL . 86.8 mt -67.66 -19.4 65.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.182 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.67 22.59 33.33 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.203 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -68.47 132.29 46.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.959 0.409 . . . . 0.0 110.595 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' B' ' 115' ' ' LYS . 19.2 mtmt -92.62 63.37 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.029 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.429 HD23 ' H ' ' B' ' 116' ' ' LEU . 2.3 pt? -118.48 141.17 48.83 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.966 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' THR . . . . . 0.435 ' O ' HG23 ' B' ' 121' ' ' VAL . 57.7 p -73.31 158.58 34.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.864 0.364 . . . . 0.0 111.079 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -30.67 69.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -62.61 -43.11 99.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.175 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.61 -38.81 90.5 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.531 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 117' ' ' THR . 14.1 t -65.54 -44.96 93.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -59.11 -41.69 88.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.401 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -61.92 -44.46 96.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.522 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 69.0 mtt -62.6 -36.08 81.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.705 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.741 HD11 ' HD3' ' B' ' 106' ' ' ARG . 96.8 mt -62.48 -43.23 98.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.735 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -75.93 -14.55 60.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.916 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -87.8 -8.16 56.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.479 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -128.94 -176.05 3.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.718 0.294 . . . . 0.0 111.138 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -91.41 96.25 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.422 0.63 . . . . 0.0 110.529 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' B' ' 125' ' ' ILE . 58.2 mt -132.64 -59.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.214 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.42 108.38 13.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.602 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 115.61 -6.76 20.43 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.13 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' ASP . . . . . 0.639 ' OD2' ' HD2' ' A' ' 106' ' ' ARG . 2.9 t70 -108.42 -160.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.778 0.289 . . . . 0.0 110.821 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -113.3 -38.19 1.25 Allowed Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.719 -0.753 . . . . 0.0 113.672 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' GLN . . . . . 0.756 ' HB2' ' HD3' ' A' ' 106' ' ' ARG . 15.5 mm-40 -139.79 156.38 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.014 0.407 . . . . 0.0 110.163 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 24.9 t -116.2 130.46 70.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.32 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 0.8 OUTLIER -80.13 118.17 21.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.476 178.715 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 138' ' ' TYR . . . . . 0.701 ' HD2' HG12 ' B' ' 100' ' ' ILE . 7.9 p90 -78.64 -22.82 46.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.45 -41.58 89.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 111.126 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -57.86 -45.22 86.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.891 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -64.06 -37.25 86.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.384 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 142' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 138' ' ' TYR . 95.5 t -62.96 -44.82 99.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -68.48 -33.86 74.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.841 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 65.1 mtp -68.66 -40.69 80.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.369 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 20.5 ptp -78.69 -12.96 60.04 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.7 p -94.69 -26.41 16.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.932 0.396 . . . . 0.0 111.208 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.7 -12.88 59.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.981 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 54.4 mttm . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.582 -179.676 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.434 ' HB3' ' CE2' ' B' ' 92' ' ' PHE . 31.6 Cg_exo -61.71 -33.68 85.32 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.878 2.386 . . . . 0.0 111.996 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.433 ' HA ' ' HE3' ' B' ' 94' ' ' LYS . 73.6 mt -102.0 86.99 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.658 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.673 ' HA2' ' HG3' ' B' ' 94' ' ' LYS . . . 131.4 71.41 0.1 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.488 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p -71.52 -28.42 63.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.782 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -65.49 -36.6 84.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.328 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -63.49 -29.4 70.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.441 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.9 tpt -66.98 -46.09 75.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.22 -37.31 72.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.976 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.4 tp -60.19 -50.43 73.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.63 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -63.49 -45.98 88.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.31 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -55.86 -49.93 72.0 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.1 t -68.02 -47.17 69.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.425 ' HA ' HD12 ' A' ' 25' ' ' ILE . 33.1 ttm180 -55.54 -42.81 75.14 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.17 99.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.9 ttm -80.37 -37.02 33.13 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -76.59 -10.31 59.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.742 0.306 . . . . 0.0 111.154 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -60.85 -23.31 65.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.454 0.645 . . . . 0.0 110.231 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -68.63 -24.79 64.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.0 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.47 ' CE2' ' HD3' ' A' ' 44' ' ' LYS . 57.1 m-85 -92.64 120.9 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.05 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 22.1 mp0 -78.43 151.85 32.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.096 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.434 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 12.5 t-80 74.92 -10.05 1.27 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.637 0.586 . . . . 0.0 111.711 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.8 t -110.72 84.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.184 0.516 . . . . 0.0 110.2 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.35 153.22 18.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.132 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 14' ' ' ARG . 44.5 mt -120.01 107.64 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.941 0.4 . . . . 0.0 111.26 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -92.38 -58.54 2.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.683 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -150.36 167.94 25.57 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.457 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 74.8 m-85 -77.88 50.22 0.84 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.845 0.355 . . . . 0.0 111.309 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 m -152.47 -79.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.674 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -60.99 -47.5 86.15 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -11.26 58.13 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.457 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 61.0 m95 -104.74 -3.39 23.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.635 0.255 . . . . 0.0 111.544 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.3 m -69.11 -21.45 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.134 0.492 . . . . 0.0 110.943 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.1 p -82.44 -22.23 35.34 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.374 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.485 ' HA2' ' HD2' ' A' ' 38' ' ' PHE . . . 77.69 -9.78 27.98 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.758 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.9 mmm -66.45 -25.57 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 111.78 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.15 71.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.051 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.485 ' HD2' ' HA2' ' A' ' 35' ' ' GLY . 75.9 m-85 -63.48 -55.83 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.976 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.514 ' SG ' ' HE1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -65.77 -31.55 72.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.767 -179.341 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.64 -49.85 75.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.869 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.2 tp -64.36 -40.14 95.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 38' ' ' PHE . 47.8 mm -64.76 -47.37 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -68.82 -27.44 65.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.337 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.47 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 40.5 tptt -64.54 -30.8 71.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -96.74 -43.29 7.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -112.75 101.1 52.41 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.94 -35.15 15.81 Favored 'Trans proline' 0 CA--C 1.527 0.16 0 C-N-CA 122.977 2.451 . . . . 0.0 112.357 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -80.65 3.62 21.42 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.01 -56.88 13.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.896 0.379 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -171.34 165.32 7.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.018 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.404 ' HB2' ' HG2' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -88.1 101.48 13.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.233 0.54 . . . . 0.0 110.654 179.456 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.514 ' HE1' ' SG ' ' A' ' 39' ' ' CYS . 48.9 t80 -65.32 -32.99 74.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.259 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.3 -10.05 57.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.23 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' HG2' ' HB2' ' A' ' 51' ' ' ASP . 69.8 mm-40 -105.06 9.37 34.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.58 0.229 . . . . 0.0 111.395 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 68.9 mt -87.36 151.0 23.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.792 0.329 . . . . 0.0 111.402 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.593 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 16.2 m-20 -125.88 147.28 58.34 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.422 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.465 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 29.2 Cg_endo -64.91 -25.93 59.51 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.66 2.24 . . . . 0.0 111.484 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.98 -6.3 55.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.496 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.593 ' HD2' ' HB2' ' A' ' 56' ' ' ASP . 81.6 mttt -110.86 26.49 10.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.314 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 57' ' ' PRO . 43.2 mtm180 -56.43 -36.77 69.36 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.988 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -58.73 -42.92 89.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.102 0.477 . . . . 0.0 110.36 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -34.73 57.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.494 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -57.24 -48.01 79.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.487 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.538 ' HB2' HG13 ' A' ' 83' ' ' VAL . 30.1 m-85 -58.69 -49.23 78.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.8 0.333 . . . . 0.0 110.779 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.9 m -61.55 -45.02 95.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.419 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.4 tp -56.25 -46.34 79.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.483 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.02 -49.03 71.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.447 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -65.76 -43.87 87.6 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.1 p -63.86 -54.1 40.24 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.4 m -59.54 -36.74 76.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.554 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.91 97.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 0.0 110.042 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -71.86 -32.73 67.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.519 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -74.65 -17.31 60.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.454 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.2 mt -106.21 -45.93 4.19 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.09 9.97 7.48 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 50.24 54.27 11.4 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.207 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 57.9 m -67.15 140.07 57.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.696 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.5 139.22 58.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.023 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -77.05 80.4 3.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.962 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 100' ' ' TYR . 44.4 mt -96.48 1.07 51.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.194 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.5 mt -144.34 142.73 30.58 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.142 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -106.24 140.88 38.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 64' ' ' PHE . 53.0 t -64.25 -52.25 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.415 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.88 -51.71 68.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.795 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -58.55 -38.56 78.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.644 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -40.53 96.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.336 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 83' ' ' VAL . 40.5 t -74.49 -32.73 30.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.295 0.569 . . . . 0.0 109.948 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 88' ' ' ARG . 14.4 ttp85 -69.15 -54.59 14.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.1 mt -74.02 -33.64 63.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.593 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.81 -58.71 0.58 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.319 0.648 . . . . 0.0 111.306 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.2 t -98.44 111.06 59.02 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -77.41 161.74 31.35 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.683 2.256 . . . . 0.0 112.37 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.4 150.69 24.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.697 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -61.56 -37.1 82.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -62.69 -44.48 96.12 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.824 0.345 . . . . 0.0 111.243 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.9 m -61.21 -33.42 73.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.73 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 20.9 t -83.73 -39.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.95 0.405 . . . . 0.0 110.145 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -56.17 -51.85 66.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.227 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.464 HG23 HD13 ' A' ' 80' ' ' LEU . 7.1 t -66.82 -27.01 67.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.804 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.531 ' HA ' HD12 ' A' ' 80' ' ' LEU . 37.4 t80 -73.76 -47.72 36.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.906 0.384 . . . . 0.0 110.42 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.9 mm -68.14 -33.96 63.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -57.1 -52.88 63.5 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.289 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -67.4 -35.49 79.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.245 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 60.1 tp -62.98 -46.46 87.58 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.51 ' O ' HG23 ' A' ' 109' ' ' VAL . 60.7 t80 -59.3 -42.79 92.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.008 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.592 ' HA ' ' HA3' ' B' ' 134' ' ' GLY . 6.2 ttm-85 -60.75 -38.34 84.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.394 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.7 m -70.13 -27.76 64.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.754 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 43.3 mt -82.08 -29.18 31.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.644 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 105' ' ' TYR . 76.8 t -65.33 -51.42 64.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.9 0.381 . . . . 0.0 110.818 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.47 -11.87 58.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.561 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.482 ' HB3' ' HG ' ' A' ' 113' ' ' LEU . 37.0 mmtt -99.29 -8.3 25.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.699 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 68.2 14.21 65.91 Favored Glycine 0 C--O 1.228 -0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.741 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.482 ' HG ' ' HB3' ' A' ' 111' ' ' LYS . 76.6 mt -73.09 -29.79 63.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.934 0.397 . . . . 0.0 111.475 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.2 t -68.27 -38.48 79.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.033 0.445 . . . . 0.0 109.85 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -91.74 75.68 5.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.125 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -25.65 66.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.359 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -97.38 132.33 43.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -62.78 109.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.043 0.449 . . . . 0.0 111.72 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.4 tptp . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.018 179.657 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -55.2 -35.94 65.4 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.941 0.4 . . . . 0.0 111.272 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -58.7 -41.32 86.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.972 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 34.9 mt -64.68 -44.9 96.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.034 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.634 ' HG3' ' HE2' ' B' ' 138' ' ' TYR . 31.3 ttt180 -62.95 -40.45 97.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.136 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.508 ' O ' HG23 ' B' ' 91' ' ' VAL . 18.3 mm-40 -64.75 -45.56 85.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.42 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.79 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.573 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -66.22 -32.25 73.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.841 0.353 . . . . 0.0 110.971 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -72.8 -22.37 60.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.737 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 87' ' ' GLU . 92.5 t -65.34 -33.31 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.105 0.478 . . . . 0.0 110.453 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 2' ' ' PRO . 7.1 m-85 -73.33 -30.43 63.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.136 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -72.92 110.77 7.47 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.673 ' HG3' ' HA2' ' A' ' 4' ' ' GLY . 55.0 mmtt -85.31 23.57 1.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -150.27 -41.87 0.13 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.969 0.414 . . . . 0.0 111.348 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.42 64.43 0.7 Allowed Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.0 -33.67 3.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.573 0.225 . . . . 0.0 110.932 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.08 12.1 32.51 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.392 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' B' ' 135' ' ' GLN . 10.3 m-85 -119.47 116.54 26.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.726 0.298 . . . . 0.0 110.874 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.444 HD11 HD12 ' B' ' 105' ' ' LEU . 25.0 pt -125.47 172.29 13.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.847 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.72 146.41 26.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.579 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.09 83.25 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.83 -44.04 97.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.536 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.523 ' O ' HG23 ' B' ' 108' ' ' VAL . 1.7 mp0 -68.34 -34.33 75.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.83 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.444 HD12 HD11 ' B' ' 100' ' ' ILE . 0.9 OUTLIER -61.63 -46.45 89.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.053 0.454 . . . . 0.0 110.306 179.117 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.507 ' HD3' HD11 ' B' ' 125' ' ' ILE . 45.1 mtm180 -66.44 -29.86 70.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.051 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -65.52 -34.37 78.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.557 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.523 HG23 ' O ' ' B' ' 104' ' ' GLU . 41.9 t -70.17 -43.89 78.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.955 0.407 . . . . 0.0 110.107 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.3 -43.79 92.57 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.563 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.04 -28.97 64.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.173 0.511 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -71.83 -44.56 63.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.755 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.64 -31.8 73.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.282 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.53 42.72 3.59 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.446 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -77.08 125.12 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -79.7 64.57 4.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.097 0.475 . . . . 0.0 111.513 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 7.5 tp -119.57 146.21 45.7 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.495 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 60.5 p -79.74 150.49 30.8 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 121.114 -0.234 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.33 -33.15 67.43 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.223 0.535 . . . . 0.0 110.131 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -64.1 -41.84 97.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.448 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -66.57 -39.58 88.55 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.987 0.423 . . . . 0.0 110.392 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.34 -42.6 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.459 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -37.61 86.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.329 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.45 -44.11 97.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.46 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' MET . . . . . 0.434 ' HE2' ' HD2' ' B' ' 148' ' ' LYS . 62.0 mtt -63.95 -39.38 94.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.761 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.693 HG23 HG13 ' B' ' 130' ' ' ILE . 37.8 mt -59.66 -38.88 77.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.573 178.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 126' ' ' ARG . 32.9 mtt180 -73.36 -24.35 60.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.969 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -87.01 -22.37 25.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.67 0.272 . . . . 0.0 111.399 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.31 177.09 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.922 0.391 . . . . 0.0 111.193 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -87.53 90.14 8.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.693 HG13 HG23 ' B' ' 125' ' ' ILE . 41.7 mm -108.73 -90.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -82.44 115.47 21.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.628 0.251 . . . . 0.0 110.573 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 123.27 -18.93 7.75 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.377 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -96.15 -83.23 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.845 0.323 . . . . 0.0 111.346 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' GLY . . . . . 0.592 ' HA3' ' HA ' ' A' ' 106' ' ' ARG . . . 148.05 -37.07 1.1 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.405 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 135' ' ' GLN . . . . . 0.529 ' HG2' ' HB2' ' A' ' 106' ' ' ARG . 72.4 mm-40 -127.12 129.56 48.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.745 0.273 . . . . 0.0 110.35 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 46.3 t -101.64 126.82 55.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.968 0.413 . . . . 0.0 111.443 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -83.42 129.27 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.237 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' TYR . . . . . 0.634 ' HE2' ' HG3' ' B' ' 86' ' ' ARG . 16.6 p90 -72.51 -39.94 67.21 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -60.76 -35.84 77.41 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -52.75 -54.39 34.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.561 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -66.32 -35.14 79.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.792 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 142' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 138' ' ' TYR . 81.1 t -61.35 -47.25 94.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.2 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -69.56 -29.72 67.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.585 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 93.0 mtp -70.96 -41.3 71.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.772 0.32 . . . . 0.0 110.719 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 20.2 ptp -76.78 -23.14 52.91 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 2.4 p -81.26 -23.2 38.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.815 0.341 . . . . 0.0 111.85 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -90.23 -0.65 57.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.599 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' LYS . . . . . 0.434 ' HD2' ' HE2' ' B' ' 124' ' ' MET . 66.0 mttm . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.823 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.893 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.81 -38.53 85.45 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.291 2.661 . . . . 0.0 113.49 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.4 mt -108.61 -35.45 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.084 0.468 . . . . 0.0 111.178 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.31 56.31 5.06 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.838 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.629 ' HB3' ' HE3' ' B' ' 94' ' ' LYS . 12.7 t -69.41 -77.54 0.08 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.625 0.25 . . . . 0.0 110.848 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.525 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 35.5 ttmt -62.78 -33.19 74.66 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.076 0.465 . . . . 0.0 110.607 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -61.07 -38.56 86.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.995 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.4 tpt -58.9 -49.36 78.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.515 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 98' ' ' TYR . 23.5 mt -63.55 -30.65 71.74 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.85 -47.79 73.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.073 0.463 . . . . 0.0 109.959 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -70.55 -36.07 73.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.107 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -56.83 -54.15 49.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.641 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.2 p -68.15 -37.88 81.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.199 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.1 ttp85 -62.34 -42.17 99.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.65 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.51 -31.2 70.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.178 0.513 . . . . 0.0 110.958 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.5 mmt -74.07 -22.54 59.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.775 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.43 HG22 ' HB2' ' A' ' 20' ' ' TYR . 1.8 m -102.33 12.68 36.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.443 0.64 . . . . 0.0 110.506 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -69.88 -25.35 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -92.98 21.0 6.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.26 0.552 . . . . 0.0 110.905 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.43 ' HB2' HG22 ' A' ' 17' ' ' THR . 40.5 m-85 -119.59 152.9 36.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.92 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -108.08 149.06 28.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.445 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . 0.257 0.0 OUTLIER 65.18 -2.19 0.79 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.7 t -113.16 86.57 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.229 0.538 . . . . 0.0 110.008 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -105.84 108.67 20.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.392 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.8 mt -82.44 98.83 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.201 0.524 . . . . 0.0 110.683 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -100.04 -37.21 9.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.83 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -138.95 166.1 25.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -88.63 33.97 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 111.538 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.2 m -148.35 -60.41 0.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.181 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -50.71 71.43 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 m -78.1 0.88 23.04 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -117.78 9.08 12.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 0.0 111.383 -179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 p -66.27 -42.88 87.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.317 0.58 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 p -81.94 -15.24 54.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.754 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.97 4.86 78.74 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.145 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mmt -62.43 -37.01 84.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.719 0.295 . . . . 0.0 111.065 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.91 76.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.473 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -61.86 -53.04 61.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.169 0.509 . . . . 0.0 109.791 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.0 m -62.34 -40.04 95.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.264 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.86 97.96 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.3 tp -66.72 -48.25 69.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.337 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.62 -39.67 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.053 0.454 . . . . 0.0 110.579 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -65.76 -23.15 66.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.595 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -73.14 -22.55 60.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 111.212 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -107.43 -36.31 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.869 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -116.92 99.81 53.09 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.768 0.318 . . . . 0.0 111.113 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -73.06 -26.18 15.33 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.968 2.446 . . . . 0.0 112.031 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -88.52 -1.31 57.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.397 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.568 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -64.41 -68.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.938 0.399 . . . . 0.0 111.127 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -160.15 159.25 31.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.126 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -89.7 105.06 17.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.056 0.455 . . . . 0.0 110.636 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -65.06 -32.98 74.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.395 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.69 -19.92 66.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.15 8.34 42.75 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.099 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.8 mt -86.94 134.41 33.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.95 0.405 . . . . 0.0 111.276 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -115.6 134.38 22.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.511 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -54.82 -21.43 25.83 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.062 2.508 . . . . 0.0 112.647 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.32 -23.51 67.32 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.988 0.423 . . . . 0.0 110.536 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -99.24 31.43 3.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.977 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -54.89 -39.46 68.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.565 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -13.58 60.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.937 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -105.23 -19.6 13.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.041 0.448 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -41.56 99.3 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.709 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.723 ' HB2' HG13 ' A' ' 83' ' ' VAL . 58.5 m-85 -60.47 -47.44 86.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.749 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.53 -45.98 91.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.717 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.01 -49.17 77.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.786 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.96 65.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.449 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -62.46 -56.61 16.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.3 m -53.92 -40.1 66.4 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.568 HG21 ' HB1' ' A' ' 49' ' ' ALA . 19.4 m -68.88 -44.03 74.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.407 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.43 -35.48 80.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.129 0.49 . . . . 0.0 110.197 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.64 -16.5 62.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.094 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -101.16 -45.97 5.21 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.4 mt -80.67 -37.14 31.38 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.79 -9.54 13.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.4 t70 57.59 51.69 9.26 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.488 0.661 . . . . 0.0 110.658 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.6 p -79.6 145.1 33.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.966 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.89 125.59 29.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.785 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.92 85.5 1.27 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.526 0.679 . . . . 0.0 111.932 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.2 mt -87.8 4.9 42.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.817 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.0 mt -142.28 144.42 33.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.32 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 85' ' ' ASP . 13.2 mt-10 -99.39 128.5 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.189 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.723 HG13 ' HB2' ' A' ' 64' ' ' PHE . 88.9 t -52.26 -57.37 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.797 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.57 -39.73 81.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.732 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.564 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 2.0 t0 -62.3 -41.0 98.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.008 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.443 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 85.1 mtp -68.69 -31.69 70.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.972 0.415 . . . . 0.0 110.658 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 83' ' ' VAL . 93.8 t -70.63 -46.9 67.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.418 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -68.75 -44.15 74.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.334 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.99 -32.03 63.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.568 0.223 . . . . 0.0 111.321 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 74.89 -51.57 0.67 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.38 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.3 t -98.74 112.29 62.34 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.722 0.296 . . . . 0.0 110.788 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -82.24 137.75 9.62 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.669 2.246 . . . . 0.0 111.575 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.485 ' HB2' ' SG ' ' A' ' 96' ' ' CYS . 4.4 m-20 -64.63 132.03 48.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.186 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.8 m -57.24 -36.05 70.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.576 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -62.07 -54.19 44.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 93' ' ' ASP . 11.7 m -57.7 -41.49 81.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.57 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' ILE . 88.5 t -65.76 -45.08 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.961 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.53 ' CE1' HD12 ' A' ' 9' ' ' LEU . 89.2 t80 -59.81 -47.91 83.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.844 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.0 m -57.11 -42.04 80.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -64.59 -46.48 82.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.437 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 97' ' ' VAL . 46.6 mm -65.47 -37.6 80.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -58.74 -47.34 84.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.384 . . . . 0.0 111.12 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -72.45 -36.13 68.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.537 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.27 -33.23 75.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.309 0.576 . . . . 0.0 109.881 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.508 ' O ' HG23 ' A' ' 109' ' ' VAL . 50.0 t80 -62.0 -34.22 75.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.133 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -61.27 -46.21 91.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.545 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -61.15 -31.08 70.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.0 mt -75.99 -27.27 57.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 105' ' ' TYR . 96.2 t -70.86 -51.14 38.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.147 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -65.25 -25.54 67.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.596 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.471 ' HB3' ' HG ' ' A' ' 113' ' ' LEU . 13.2 tptp -83.26 -6.23 59.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.377 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.59 27.6 73.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.524 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.471 ' HG ' ' HB3' ' A' ' 111' ' ' LYS . 96.7 mt -90.69 -25.22 20.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.746 0.307 . . . . 0.0 111.577 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.03 -42.77 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.015 0.436 . . . . 0.0 111.449 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -83.16 26.61 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.918 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.3 t -71.16 -14.54 62.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.036 0.446 . . . . 0.0 110.824 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -88.43 -5.0 58.53 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.075 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -111.24 150.96 28.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.405 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.425 -179.852 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 121.043 0.449 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' B' ' 87' ' ' GLU . 58.2 mp0 -63.95 -35.02 79.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.848 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -58.16 -30.81 66.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.933 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 86.9 mt -67.92 -48.16 76.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.701 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 86' ' ' ARG . 21.1 ttt180 -66.71 -37.67 85.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.614 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.457 ' O ' HG23 ' B' ' 91' ' ' VAL . 63.1 mt-10 -60.21 -33.38 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.05 -41.62 58.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.044 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.446 ' HE1' HD12 ' B' ' 105' ' ' LEU . 18.6 m-85 -65.56 -35.43 80.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.18 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' B' ' 90' ' ' ARG . 8.5 ttt180 -66.74 -19.38 65.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.435 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 87' ' ' GLU . 95.2 t -71.12 -33.69 52.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.978 0.418 . . . . 0.0 110.049 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' PHE . . . . . 0.418 ' CE1' HG22 ' B' ' 108' ' ' VAL . 27.5 m-85 -74.77 -26.37 59.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.1 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -80.92 139.39 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.629 ' HE3' ' HB3' ' A' ' 5' ' ' SER . 0.2 OUTLIER -112.34 8.18 19.52 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.54 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -139.85 -34.35 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.784 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.17 35.87 3.53 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -88.91 -29.47 19.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.502 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' GLY . . . . . 0.436 ' HA2' ' CE2' ' B' ' 138' ' ' TYR . . . 89.05 20.69 45.16 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.394 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' TYR . . . . . 0.486 ' CE1' ' HB3' ' B' ' 137' ' ' ASN . 47.0 m-85 -128.74 127.11 41.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.757 0.313 . . . . 0.0 111.683 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.0 pt -134.82 179.59 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.952 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 43.0 p -91.99 166.48 12.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.747 0.308 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.48 -34.59 76.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.403 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.35 84.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.112 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.527 ' O ' HG23 ' B' ' 108' ' ' VAL . 2.6 mp0 -69.1 -47.95 63.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.536 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.446 HD12 ' HE1' ' B' ' 89' ' ' PHE . 6.6 tp -51.54 -48.36 63.06 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.39 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -28.95 69.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.913 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -77.51 -26.76 51.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.132 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 104' ' ' GLU . 11.6 t -69.3 -42.68 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 96.2 mtp -59.82 -42.38 93.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.105 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -43.8 72.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.734 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -66.96 -21.22 65.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.43 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.89 -16.41 61.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.44 11.99 43.03 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.321 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -69.81 137.22 51.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.902 0.382 . . . . 0.0 110.42 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -100.16 16.24 24.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.336 0.589 . . . . 0.0 110.214 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 tp -68.9 134.89 50.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.945 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 39.4 p -70.96 157.39 38.27 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.035 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -58.99 -35.53 73.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.234 0.54 . . . . 0.0 109.69 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 2.7 mp0 -61.42 -43.72 98.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.521 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -63.16 -35.49 80.46 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.973 0.416 . . . . 0.0 110.624 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 39.0 t -74.36 -39.24 48.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' B' ' 126' ' ' ARG . 37.4 t70 -58.27 -37.53 75.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.063 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 123' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 52.2 mt-10 -62.48 -41.48 98.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.342 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mtt -66.77 -37.63 84.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.269 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.712 HG23 HD12 ' B' ' 130' ' ' ILE . 95.3 mt -64.72 -30.27 49.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.245 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 91.7 mtt-85 -84.56 -0.66 54.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.844 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 127' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' B' ' 123' ' ' GLU . 45.3 mt-10 -115.36 11.46 16.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.96 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -139.57 159.19 42.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.654 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -76.66 93.38 3.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.755 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.712 HD12 HG23 ' B' ' 125' ' ' ILE . 30.3 mt -126.52 -63.94 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.801 0.334 . . . . 0.0 111.086 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -71.48 108.71 5.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.763 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 105.51 12.63 26.24 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.55 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -117.4 -84.13 0.64 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.526 -0.397 . . . . 0.0 111.59 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 159.9 -50.99 0.37 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.853 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -143.72 149.79 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.898 0.349 . . . . 0.0 111.213 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -119.99 146.39 24.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.128 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' ASN . . . . . 0.486 ' HB3' ' CE1' ' B' ' 99' ' ' TYR . 27.3 p-10 -94.28 133.91 37.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 138' ' ' TYR . . . . . 0.436 ' CE2' ' HA2' ' B' ' 98' ' ' GLY . 43.8 p90 -69.36 -17.2 63.67 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -54.06 -53.18 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.564 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -60.73 -48.26 82.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -60.0 -42.92 95.3 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.42 -42.4 93.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -67.58 -37.92 83.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.207 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 82.9 mtp -67.79 -43.38 79.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.32 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 19.8 ptp -71.69 -18.31 62.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.8 p -91.46 -17.43 25.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.813 0.34 . . . . 0.0 111.263 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.15 -0.05 50.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.561 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 40.0 mttm . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.867 179.53 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.593 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.48 150.19 75.2 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.666 2.244 . . . . 0.0 111.79 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt -130.46 136.54 49.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.731 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.49 ' HA3' ' HD2' ' B' ' 94' ' ' LYS . . . 95.32 89.86 1.74 Allowed Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.645 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -27.34 69.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.99 0.424 . . . . 0.0 111.499 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.541 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 23.0 ptmt -63.92 -19.02 64.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.023 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -67.23 -30.21 70.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.96 0.41 . . . . 0.0 110.695 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.3 tpt -64.02 -52.95 57.08 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.324 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.462 HD12 ' CE1' ' A' ' 98' ' ' TYR . 40.6 mt -67.18 -34.32 77.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.22 -50.2 74.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.446 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -66.67 -43.53 84.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.62 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -61.28 -49.24 77.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.514 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.7 t -66.82 -41.96 86.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.652 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -64.08 -34.79 78.84 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.875 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.39 -16.72 64.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.227 0.537 . . . . 0.0 110.872 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.8 mmt -93.33 -39.06 11.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.693 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 p -77.81 -22.92 49.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.763 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -10.75 27.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.044 0.45 . . . . 0.0 111.41 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -81.36 -11.36 59.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.411 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -104.55 -169.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.307 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -135.08 150.76 50.3 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 74.51 -12.56 0.89 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.086 0.47 . . . . 0.0 110.829 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.1 t -115.65 90.43 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.069 0.461 . . . . 0.0 111.317 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -118.31 133.54 55.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.792 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.6 mt -88.39 104.84 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.249 0.547 . . . . 0.0 111.719 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -103.09 -48.53 4.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.295 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -142.78 145.06 32.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.119 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -61.66 -20.05 62.99 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 m -107.47 -41.17 5.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.773 0.32 . . . . 0.0 111.588 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -74.59 -29.99 61.53 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -97.79 -9.09 27.13 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -107.56 9.48 29.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.807 0.337 . . . . 0.0 111.551 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -71.89 -31.97 66.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.442 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.52 -29.31 56.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.35 -15.47 61.18 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.351 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.441 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 94.1 mmm -61.12 -24.59 66.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.809 0.338 . . . . 0.0 111.725 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.65 81.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.435 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -65.44 -50.82 63.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.971 0.415 . . . . 0.0 110.78 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -62.53 -35.59 79.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.44 -179.748 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.42 97.48 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.801 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.1 tp -72.19 -42.55 65.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.34 -42.2 94.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.955 0.407 . . . . 0.0 110.399 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -65.94 -24.59 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.879 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.12 -36.22 81.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.219 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' O ' ' HD3' ' A' ' 47' ' ' PRO . 90.4 m-85 -98.8 -40.88 7.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.776 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -111.56 95.22 26.25 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.781 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' A' ' 45' ' ' PHE . 13.5 Cg_exo -71.81 -27.7 17.62 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.848 2.365 . . . . 0.0 111.97 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -82.19 -11.5 58.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.51 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.622 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -55.67 -61.14 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.93 0.395 . . . . 0.0 111.483 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -167.0 154.94 9.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.535 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -80.23 121.26 25.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.943 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -73.81 -27.52 61.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.303 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.5 -22.21 57.35 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.158 0.504 . . . . 0.0 110.413 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -91.6 4.34 52.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.79 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.5 mt -101.39 138.49 38.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.431 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.409 ' OD2' ' HB3' ' A' ' 58' ' ' ALA . 4.0 p-10 -122.69 152.5 62.16 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.621 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 56' ' ' ASP . 24.5 Cg_exo -63.68 -27.96 68.87 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.011 2.474 . . . . 0.0 114.357 -178.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.409 ' HB3' ' OD2' ' A' ' 56' ' ' ASP . . . -65.69 -33.62 76.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.951 0.405 . . . . 0.0 110.823 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -84.88 29.27 0.64 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.726 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -53.29 -34.32 56.86 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.628 ' HG2' HG21 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -66.18 -39.56 89.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.119 0.485 . . . . 0.0 110.464 179.544 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -79.78 -33.1 40.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.835 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -59.87 -50.64 72.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.502 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.527 ' CB ' HG13 ' A' ' 83' ' ' VAL . 6.3 m-85 -57.87 -47.34 83.02 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.978 178.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.451 ' OG1' HG11 ' A' ' 83' ' ' VAL . 14.3 m -59.77 -48.62 80.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.758 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.6 tp -60.3 -46.47 89.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.405 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.26 -50.65 69.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.31 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -59.69 -46.96 87.48 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.457 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 16.9 p -63.79 -48.98 74.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.722 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.622 HG21 ' HB1' ' A' ' 49' ' ' ALA . 13.3 m -62.34 -34.39 76.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.343 . . . . 0.0 110.815 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.61 73.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.123 0.487 . . . . 0.0 110.193 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 76' ' ' ASP . 46.9 tt0 -87.11 -38.38 16.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.002 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 69' ' ' SER . 29.8 mmtp -69.72 -33.48 72.54 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 74.0 mt -107.0 -34.96 7.02 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.57 -5.32 17.61 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.42 ' HA ' ' O ' ' A' ' 72' ' ' GLU . 19.9 m-20 61.98 28.27 17.16 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.456 0.472 . . . . 0.0 111.741 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.0 t -62.7 159.74 15.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.009 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.82 131.51 44.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.902 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -76.59 84.71 3.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.001 0.429 . . . . 0.0 110.144 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 82.7 mt -86.88 -10.75 52.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.522 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.9 mt -135.5 154.51 51.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.124 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.14 142.18 34.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.867 0.365 . . . . 0.0 110.776 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.527 HG13 ' CB ' ' A' ' 64' ' ' PHE . 78.9 t -60.14 -58.93 5.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.499 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.68 -37.38 78.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.651 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.03 -50.52 71.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.436 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.3 mtp -62.86 -37.38 86.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.5 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.628 HG21 ' HG2' ' A' ' 61' ' ' ARG . 69.4 t -66.85 -41.21 87.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.861 0.363 . . . . 0.0 110.289 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -66.18 -50.41 64.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.909 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.03 -42.97 88.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . 70.15 -5.05 1.38 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.448 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.4 t -137.16 102.08 9.12 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -80.88 156.38 20.6 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.535 2.157 . . . . 0.0 112.286 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' OD2' ' HB3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -87.66 135.78 33.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 179.574 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.1 m -58.56 -37.22 75.27 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.45 ' HB3' ' OD2' ' A' ' 93' ' ' ASP . 38.9 ttmt -64.56 -50.09 68.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.325 . . . . 0.0 111.023 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 33.9 m -60.94 -43.85 98.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.007 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 101' ' ' ILE . 91.4 t -64.25 -39.82 86.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.525 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.541 ' CE1' ' HA ' ' A' ' 6' ' ' LYS . 46.6 t80 -58.35 -45.01 88.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.3 m -65.14 -38.49 90.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.351 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -62.55 -44.26 96.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.602 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 97' ' ' VAL . 47.3 mm -69.18 -36.88 75.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.469 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -54.55 42.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.386 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -62.16 -33.87 75.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 57.9 tp -67.18 -47.98 69.32 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -60.6 -43.75 97.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.613 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -55.03 -46.77 75.3 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.247 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.9 m -67.18 -41.76 85.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.536 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 78.4 mt -61.96 -38.35 88.19 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.809 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 51.3 t -69.35 -42.74 81.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -38.24 84.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.989 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -83.54 -7.99 59.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.249 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.31 30.57 66.95 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.553 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 61.0 mt -86.39 -32.42 20.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.915 0.388 . . . . 0.0 111.207 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.443 ' HA ' ' HE1' ' A' ' 45' ' ' PHE . 66.7 t -66.72 -30.91 51.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.315 0.578 . . . . 0.0 109.7 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -83.12 36.19 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.145 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -78.75 -1.13 33.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.041 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -80.85 59.89 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.532 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -128.75 145.97 51.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.694 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 42.9 tptt . . . . . 0 C--O 1.244 0.815 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.009 179.84 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 22.7 tt0 . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.97 0.414 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' B' ' 83' ' ' GLU . 30.5 mp0 -56.55 -40.98 76.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.574 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -60.86 -41.64 96.28 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.053 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.16 -48.08 89.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.409 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 37.8 mtp85 -62.76 -40.99 99.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.474 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.536 ' O ' HG23 ' B' ' 91' ' ' VAL . 32.6 tp10 -60.89 -48.76 80.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.705 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.01 74.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.137 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -67.97 -34.28 76.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.929 0.395 . . . . 0.0 111.495 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -66.51 -34.79 78.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.406 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 87' ' ' GLU . 64.3 t -69.07 -29.67 43.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.295 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -72.98 -25.81 61.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -85.57 158.69 20.07 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.49 ' HD2' ' HA3' ' A' ' 4' ' ' GLY . 59.6 mttt -128.45 -0.1 5.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.909 0.385 . . . . 0.0 111.399 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.95 -38.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.235 0.54 . . . . 0.0 110.256 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.38 57.19 0.72 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -117.18 -32.44 5.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.852 0.358 . . . . 0.0 110.69 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 88.51 15.26 60.39 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.172 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -96.98 116.31 28.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.697 0.284 . . . . 0.0 111.397 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.4 pt -139.13 157.67 28.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.147 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.99 172.37 9.17 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ALA . . . . . 0.608 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -60.59 -34.84 74.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.0 -55.83 29.88 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.334 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.559 ' O ' HG23 ' B' ' 108' ' ' VAL . 2.3 mp0 -59.93 -50.48 73.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.696 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 24.1 tp -52.54 -50.92 61.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.955 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.517 ' HG3' HG11 ' B' ' 121' ' ' VAL . 13.0 ttt180 -60.22 -41.41 93.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.36 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -68.23 -36.58 79.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.758 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 104' ' ' GLU . 97.0 t -63.4 -48.59 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.693 0.282 . . . . 0.0 110.443 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 78.5 mtp -58.01 -41.35 82.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.804 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.91 -34.4 64.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.915 0.388 . . . . 0.0 111.397 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -74.82 -19.81 60.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 111.221 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.55 -18.6 62.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.251 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.4 -0.66 40.17 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.199 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -61.27 123.63 18.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.733 0.301 . . . . 0.0 110.676 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -91.57 33.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.623 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.535 HD11 HG22 ' B' ' 121' ' ' VAL . 2.1 pt? -79.44 148.22 32.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.191 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.85 154.79 41.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.159 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -35.78 79.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.281 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -65.85 -31.72 72.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.154 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.08 -44.77 91.36 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.535 HG22 HD11 ' B' ' 116' ' ' LEU . 4.0 t -64.87 -45.41 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.393 179.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -47.92 83.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.134 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -63.53 -39.73 95.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.58 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 70.7 mtm -68.89 -36.32 77.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.093 0.473 . . . . 0.0 110.389 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.797 HG23 HD12 ' B' ' 130' ' ' ILE . 31.2 mt -66.03 -31.96 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -75.99 -6.96 53.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.786 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -98.85 -1.74 39.48 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -115.7 160.78 19.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.058 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -82.99 59.41 4.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.604 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.797 HD12 HG23 ' B' ' 125' ' ' ILE . 44.8 mt -94.81 -54.01 7.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.322 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -73.65 124.27 25.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.057 0.456 . . . . 0.0 111.306 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.22 3.14 65.48 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.632 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.52 -72.89 0.66 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.603 0.24 . . . . 0.0 111.484 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 157.15 -104.98 0.26 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.236 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -104.74 155.18 19.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.728 0.299 . . . . 0.0 110.199 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' VAL . . . . . 0.498 HG11 HG12 ' B' ' 130' ' ' ILE . 16.3 m -127.65 173.39 13.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.162 0.506 . . . . 0.0 111.227 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 137' ' ' ASN . . . . . 0.502 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 20.8 p-10 -101.39 137.27 39.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.885 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 138' ' ' TYR . . . . . 0.482 ' O ' HG23 ' B' ' 142' ' ' VAL . 54.9 p90 -67.9 -17.14 64.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 139' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' B' ' 143' ' ' GLN . 10.1 mt-10 -55.19 -42.11 72.82 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.12 -49.54 76.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.961 0.41 . . . . 0.0 111.062 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -65.11 -30.96 71.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.99 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 142' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 138' ' ' TYR . 70.3 t -64.38 -44.39 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 143' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' B' ' 139' ' ' GLU . 83.3 mt-30 -66.06 -38.02 87.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.151 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 57.2 mtt -66.09 -46.42 77.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.467 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 62.2 mtm -60.89 -36.12 78.42 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.2 p -79.65 -5.31 54.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.173 0.511 . . . . 0.0 111.562 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -117.38 11.95 14.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.207 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 73.6 tttt . . . . . 0 C--O 1.248 1.011 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.84 -179.711 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -72.94 -8.2 21.9 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.043 2.495 . . . . 0.0 112.549 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.72 32.53 2.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.057 0.456 . . . . 0.0 110.534 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.61 112.18 0.6 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.564 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -29.21 70.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.025 0.44 . . . . 0.0 111.39 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.495 ' HB2' ' HB2' ' B' ' 94' ' ' LYS . 11.4 ttmm -65.04 -27.56 68.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.08 -36.62 83.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.05 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -62.63 -51.58 66.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.231 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 9' ' ' LEU . 18.8 mt -62.37 -36.68 83.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.2 tp -64.41 -46.6 82.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.434 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -61.17 -43.9 98.15 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.966 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -60.36 -52.86 63.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.79 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.4 m -67.51 -47.78 68.98 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -58.08 -37.01 73.67 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.16 90.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.018 0.437 . . . . 0.0 110.677 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.0 mtt -81.63 -22.67 37.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.329 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.5 m -64.24 -29.9 70.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.228 0.537 . . . . 0.0 110.64 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -67.94 -8.5 37.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.829 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.9 -3.49 59.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.962 0.41 . . . . 0.0 110.377 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -121.22 -174.62 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.761 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.08 150.25 50.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.509 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 69.35 8.45 6.8 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.724 0.64 . . . . 0.0 111.921 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.8 t -120.41 117.35 53.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -131.03 103.61 6.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.28 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.687 ' HA ' ' HB3' ' A' ' 31' ' ' SER . 72.1 mt -92.83 104.65 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.86 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -101.8 -34.46 9.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.857 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -148.75 165.54 31.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.391 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.451 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 77.1 m-85 -87.58 68.57 9.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.819 0.342 . . . . 0.0 110.823 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.3 p -167.01 -91.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.592 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -37.46 82.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.191 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.687 ' HB3' ' HA ' ' A' ' 25' ' ' ILE . 12.2 m -69.16 -10.85 59.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.042 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.451 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 74.4 m95 -106.74 -3.65 20.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.149 -0.221 . . . . 0.0 111.503 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.8 m -67.87 -15.14 63.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.166 0.508 . . . . 0.0 111.235 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -20.41 58.5 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.69 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.29 -44.36 2.41 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.356 -0.449 . . . . 0.0 112.858 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.6 mmm -50.59 -31.75 16.79 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.477 0.711 . . . . 0.0 112.481 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.28 -38.69 71.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -66.27 -52.11 50.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.024 0.44 . . . . 0.0 110.738 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 66.6 m -64.57 -32.97 74.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.617 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.18 87.64 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 110.672 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.3 tp -64.3 -48.29 76.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.572 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.1 mm -60.07 -41.42 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.006 0.431 . . . . 0.0 110.839 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -64.79 -21.79 66.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.533 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -34.56 64.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.732 0.301 . . . . 0.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.506 ' HB3' HD13 ' A' ' 113' ' ' LEU . 62.8 m-85 -92.97 -39.58 11.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -120.79 83.21 35.91 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.515 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -73.33 -15.43 25.21 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.674 2.25 . . . . 0.0 111.436 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -87.29 -2.36 58.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.009 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.596 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -72.24 -66.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.65 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -151.37 162.37 41.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.504 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -84.57 125.97 32.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.373 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.404 ' HA ' HD12 ' A' ' 55' ' ' LEU . 65.0 t80 -74.38 -29.7 61.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.752 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.11 -21.07 60.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.762 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -88.82 2.31 53.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.91 0.386 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 52' ' ' TYR . 80.2 mt -92.88 102.02 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.098 0.475 . . . . 0.0 110.376 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.823 ' H ' ' HD2' ' A' ' 59' ' ' LYS . 4.0 m-20 -88.23 152.44 50.29 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.523 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 15.8 Cg_endo -59.57 -24.01 73.4 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.047 2.498 . . . . 0.0 112.311 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.16 -11.25 58.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.044 0.45 . . . . 0.0 110.768 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.823 ' HD2' ' H ' ' A' ' 56' ' ' ASP . 82.2 mttt -97.8 23.76 7.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.114 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 57' ' ' PRO . 46.5 mtm180 -55.26 -40.89 71.51 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -62.73 -45.47 92.56 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -70.42 -30.9 67.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.245 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -59.91 -51.9 67.74 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.825 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.478 ' HB2' HG13 ' A' ' 83' ' ' VAL . 37.6 m-85 -58.65 -45.5 89.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.876 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -62.82 -43.72 98.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.51 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 tp -59.59 -49.56 77.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.969 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.49 -52.07 66.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.96 -179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -67.15 -54.85 17.4 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.7 m -60.3 -39.48 87.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.596 HG21 ' HB1' ' A' ' 49' ' ' ALA . 9.1 m -72.85 -43.52 62.51 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.295 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.25 93.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.309 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.96 -37.56 86.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.309 0.576 . . . . 0.0 110.185 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -71.97 -29.15 63.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.567 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -92.38 -50.82 5.44 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.86 19.5 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 40.02 62.77 1.19 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 23.3 p -75.43 146.94 40.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.718 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.09 114.58 8.39 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -72.27 78.42 0.99 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.261 0.553 . . . . 0.0 111.23 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.6 mt -91.71 10.88 26.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 mt -142.06 138.06 31.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.6 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -107.38 138.49 43.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.081 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.478 HG13 ' HB2' ' A' ' 64' ' ' PHE . 47.0 t -57.73 -58.33 6.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.376 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.64 -47.27 70.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.96 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.79 -45.24 93.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.694 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 82.1 mtp -65.31 -39.11 92.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' VAL . 87.4 t -69.22 -36.69 73.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.085 0.469 . . . . 0.0 109.995 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -67.21 -48.64 67.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.517 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.7 mt -78.05 -33.66 50.85 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 75.06 -50.36 0.66 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.523 0.729 . . . . 0.0 111.626 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 43.7 t -101.35 109.27 58.38 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 6.1 Cg_exo -75.26 173.93 13.66 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.847 2.364 . . . . 0.0 111.259 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.515 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 16.1 t70 -94.6 144.72 25.37 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.971 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m -63.4 -35.71 81.3 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -68.55 -38.94 81.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.946 0.403 . . . . 0.0 110.702 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 27.5 m -65.6 -48.14 73.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.01 -43.09 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -56.18 -48.52 76.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.4 m -68.04 -37.55 81.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.723 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.24 -46.53 86.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.051 0.453 . . . . 0.0 110.673 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 51.2 mm -71.66 -31.18 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.137 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -55.91 -58.29 8.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.961 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.92 -34.63 78.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.477 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 37.5 tp -61.86 -45.77 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.994 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.643 ' HE1' HG11 ' A' ' 114' ' ' VAL . 42.3 t80 -59.11 -46.58 87.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.851 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -57.61 -40.94 80.27 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.194 0.521 . . . . 0.0 110.99 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 m -67.54 -26.32 66.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.803 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 28.7 mt -88.57 -21.09 24.25 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 105' ' ' TYR . 68.8 t -64.49 -56.4 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.541 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.64 -16.59 63.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.884 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -87.7 -13.87 41.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.97 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 77.62 8.84 87.16 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.995 -0.621 . . . . 0.0 113.052 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.506 HD13 ' HB3' ' A' ' 45' ' ' PHE . 75.5 mt -72.23 -35.38 68.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 110.991 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.643 HG11 ' HE1' ' A' ' 105' ' ' TYR . 46.4 t -75.07 -27.27 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.358 0.599 . . . . 0.0 109.932 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -83.69 61.33 6.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.229 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.55 6.61 33.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.727 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -152.39 132.19 13.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.677 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -136.56 110.47 8.21 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.892 -179.352 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.762 0.315 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' B' ' 83' ' ' GLU . 40.0 mp0 -58.46 -49.68 76.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.702 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -58.29 -39.4 79.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.629 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 49.5 mt -63.1 -48.08 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.975 0.417 . . . . 0.0 109.935 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.764 ' HG2' ' HE2' ' B' ' 138' ' ' TYR . 62.2 mtp180 -69.84 -33.14 71.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.057 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.461 ' O ' HG23 ' B' ' 91' ' ' VAL . 3.1 tp10 -63.66 -38.93 92.99 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.09 95.72 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.025 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -68.33 -34.6 76.41 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -66.38 -23.89 66.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.444 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 87' ' ' GLU . 96.5 t -64.75 -33.21 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -76.42 -42.2 44.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.556 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -62.46 152.03 35.59 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -124.39 -0.83 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -134.21 -13.26 2.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.58 53.69 3.73 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -107.47 -31.35 8.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.892 0.377 . . . . 0.0 110.799 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 87.44 11.92 68.12 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.783 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -116.43 121.95 43.37 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.937 0.399 . . . . 0.0 111.073 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.2 pt -136.07 -173.95 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.685 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 60.6 p -106.0 172.19 6.94 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ALA . . . . . 0.757 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -67.81 -29.55 68.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.156 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.98 -51.88 66.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.195 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.511 ' O ' HG23 ' B' ' 108' ' ' VAL . 4.0 mp0 -67.31 -41.28 85.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.007 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.41 -54.11 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.081 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -70.14 -6.16 32.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -96.6 -13.48 22.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.201 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 104' ' ' GLU . 60.4 t -78.19 -56.45 7.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.4 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -56.04 -38.76 70.99 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.414 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.35 -35.25 75.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.071 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -77.81 -27.42 50.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.952 0.406 . . . . 0.0 110.752 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.24 -25.42 62.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.254 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.99 10.0 50.46 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.541 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.79 128.44 36.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.297 . . . . 0.0 110.965 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -76.43 66.64 2.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.669 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.439 HD23 HG22 ' B' ' 121' ' ' VAL . 15.1 tp -113.8 125.46 54.11 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.031 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 117' ' ' THR . . . . . 0.427 ' O ' HG23 ' B' ' 121' ' ' VAL . 10.7 p -70.3 148.42 48.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -60.09 -25.88 65.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.082 0.467 . . . . 0.0 110.297 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.09 -48.26 79.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.049 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -67.75 -38.21 83.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.554 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.439 HG22 HD23 ' B' ' 116' ' ' LEU . 57.5 t -61.54 -45.31 98.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -33.87 76.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.977 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.41 -44.21 79.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.135 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 67.5 mtt -63.82 -43.3 96.65 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.257 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.765 HG23 HD12 ' B' ' 130' ' ' ILE . 38.3 mt -61.83 -31.41 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.993 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -28.23 39.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.548 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -69.97 -41.58 74.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.392 . . . . 0.0 110.191 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.42 154.18 22.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.453 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -78.25 85.37 4.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.348 0.594 . . . . 0.0 111.343 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.913 HG12 HG11 ' B' ' 136' ' ' VAL . 27.3 mt -107.37 -57.64 4.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.766 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.33 125.2 25.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.856 0.36 . . . . 0.0 110.7 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.06 -22.91 30.39 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.385 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -91.47 -79.22 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.205 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 130.08 -34.38 2.74 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.019 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -134.21 122.17 22.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.959 0.379 . . . . 0.0 111.045 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' VAL . . . . . 0.913 HG11 HG12 ' B' ' 130' ' ' ILE . 9.7 m -118.28 136.25 56.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.29 0.567 . . . . 0.0 112.301 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 137' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 0.3 OUTLIER -82.01 127.6 33.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.98 179.398 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 138' ' ' TYR . . . . . 0.764 ' HE2' ' HG2' ' B' ' 86' ' ' ARG . 29.4 p90 -67.91 -16.53 64.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.095 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -47.95 -56.56 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -54.22 -41.66 68.92 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -66.76 -39.45 87.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.857 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.38 -48.39 81.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.403 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -59.78 -41.78 91.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.764 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 1.4 ttm -59.59 -44.74 93.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.199 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 67.2 mtm -63.35 -43.47 97.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.376 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 4.4 m -68.99 -17.41 63.92 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.022 0.439 . . . . 0.0 111.335 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.22 -7.4 48.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.07 0.462 . . . . 0.0 111.019 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.142 179.899 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.873 0 N-CA-C 111.915 -0.474 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -62.08 -25.32 77.33 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.144 2.563 . . . . 0.0 112.712 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.4 mt -100.85 16.63 24.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.056 0.455 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.0 108.75 1.69 Allowed Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.987 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.492 ' H ' ' HZ2' ' B' ' 94' ' ' LYS . 0.9 OUTLIER -63.17 -35.16 79.38 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 122.594 0.357 . . . . 0.0 111.383 -179.265 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -64.29 -36.99 85.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.916 0.389 . . . . 0.0 110.481 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -75.32 -32.64 61.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -58.52 -51.71 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.927 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.8 mt -68.38 -34.79 76.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.452 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.6 tp -60.94 -49.41 77.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.649 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -62.61 -42.69 99.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.97 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -56.54 -49.87 73.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.077 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.8 m -70.89 -37.0 72.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.671 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -58.46 -35.14 71.7 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.56 -37.32 85.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.114 0.483 . . . . 0.0 110.622 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.1 mtt -77.72 -25.62 49.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.725 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -65.17 -26.35 68.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.134 0.492 . . . . 0.0 110.473 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -73.87 -3.85 31.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.77 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -102.19 -11.22 18.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.381 . . . . 0.0 111.405 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -104.4 -175.01 2.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.415 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -135.28 143.82 46.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.669 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 68.03 19.06 9.4 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.651 0.594 . . . . 0.0 111.395 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.4 t -125.83 126.25 69.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.32 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -140.97 114.44 8.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.791 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.608 ' HA ' ' HB3' ' A' ' 31' ' ' SER . 66.2 mt -99.25 111.89 30.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.849 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -95.25 -42.28 8.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.434 0.635 . . . . 0.0 109.429 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -157.35 -176.74 6.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.609 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.44 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 72.0 m-85 -90.8 56.69 3.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.857 0.361 . . . . 0.0 110.677 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 p -151.93 -94.53 0.05 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -35.22 70.29 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -178.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.608 ' HB3' ' HA ' ' A' ' 25' ' ' ILE . 1.0 OUTLIER -66.78 -14.26 62.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.909 0.385 . . . . 0.0 111.887 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.72 ' HB2' ' HG2' ' A' ' 92' ' ' PRO . 33.0 m95 -107.65 4.1 25.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.416 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.0 m -72.44 -15.72 61.82 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.029 0.442 . . . . 0.0 111.174 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -16.47 31.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.83 -36.93 2.66 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.22 -0.515 . . . . 0.0 112.749 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 mmt -46.68 -37.67 8.68 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.07 -34.81 61.08 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -69.1 -53.79 18.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.843 0.354 . . . . 0.0 110.681 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 m -62.83 -33.07 74.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.795 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.78 -46.05 92.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.554 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.63 -45.69 78.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.695 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.7 mm -62.48 -43.23 98.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.029 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -63.17 -30.49 71.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.652 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -68.47 -41.55 79.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.022 0.439 . . . . 0.0 110.661 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -84.23 -35.5 23.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.984 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -121.99 93.49 48.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 120.837 0.351 . . . . 0.0 111.487 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -72.72 -13.66 27.01 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.904 2.402 . . . . 0.0 110.935 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -93.65 -1.85 54.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.887 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.735 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -68.08 -61.08 2.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.855 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -165.9 164.7 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.531 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -88.85 113.76 24.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -65.94 -24.44 66.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.463 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.22 -21.33 61.41 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -94.9 4.37 53.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.43 0.633 . . . . 0.0 110.79 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -93.15 125.63 37.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.918 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.524 ' H ' ' HD2' ' A' ' 59' ' ' LYS . 8.2 m-20 -116.24 150.37 45.16 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.363 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.82 -22.54 74.56 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.018 2.478 . . . . 0.0 111.98 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.68 -21.18 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.391 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.524 ' HD2' ' H ' ' A' ' 56' ' ' ASP . 67.5 mttt -98.11 50.95 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -62.27 -47.16 85.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.998 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -61.85 -44.56 96.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.133 0.492 . . . . 0.0 110.205 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -35.14 79.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.77 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -60.08 -50.11 75.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.444 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.46 ' HB2' HG13 ' A' ' 83' ' ' VAL . 45.0 m-85 -63.4 -44.19 95.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.578 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.2 m -60.36 -53.57 55.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.739 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.6 tp -56.39 -46.81 79.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.539 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.05 -55.94 28.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.76 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -60.82 -49.72 76.34 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.0 m -59.92 -43.04 95.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.735 HG21 ' HB1' ' A' ' 49' ' ' ALA . 22.5 m -68.71 -40.29 80.03 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.15 77.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.902 0.382 . . . . 0.0 110.314 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -74.13 -42.02 60.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.371 0.605 . . . . 0.0 110.217 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.47 -43.96 62.98 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.9 mt -96.48 -28.02 14.61 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.12 0.13 12.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 45.26 43.05 7.76 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 16.6 p -85.51 153.54 22.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.076 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.53 145.55 39.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.894 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -103.22 89.86 3.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.803 0.335 . . . . 0.0 111.452 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.83 -12.97 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.355 0.598 . . . . 0.0 110.654 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.6 mt -122.03 140.27 52.69 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -111.96 142.28 44.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.131 0.491 . . . . 0.0 111.66 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.46 HG13 ' HB2' ' A' ' 64' ' ' PHE . 40.1 t -52.37 -49.39 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.137 -179.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -38.18 78.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -33.74 32.96 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.133 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.4 mtp -65.12 -45.75 83.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.693 0.282 . . . . 0.0 111.697 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 83' ' ' VAL . 39.3 t -69.0 -25.42 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.234 0.54 . . . . 0.0 110.626 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 88' ' ' ARG . 34.3 ttp180 -81.86 -49.44 10.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.694 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 70.5 mt -71.41 -39.78 70.9 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.448 ' O ' ' HD3' ' A' ' 92' ' ' PRO . . . 74.61 -44.22 0.55 Allowed 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.737 0.648 . . . . 0.0 112.397 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.43 106.34 35.41 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.72 ' HG2' ' HB2' ' A' ' 32' ' ' TRP . 11.6 Cg_exo -72.19 157.96 52.9 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.069 2.513 . . . . 0.0 112.521 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.81 132.42 33.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.573 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.6 m -57.51 -38.1 74.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.419 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.417 ' HA ' ' OD1' ' B' ' 95' ' ' ASP . 56.6 tttp -71.43 -50.8 28.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.935 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 85.8 m -56.84 -45.38 82.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.199 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.4 ' O ' HG12 ' A' ' 101' ' ' ILE . 91.4 t -64.71 -42.93 96.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.982 0.42 . . . . 0.0 109.968 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.44 -48.83 79.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.5 m -60.01 -36.12 76.53 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 111.188 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -65.7 -49.49 68.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.119 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 97' ' ' VAL . 48.3 mm -66.93 -32.59 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.033 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -57.85 -56.73 18.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.187 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.29 -36.12 82.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 58.2 tp -64.0 -42.44 97.18 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.51 ' O ' HG23 ' A' ' 109' ' ' VAL . 67.2 t80 -58.75 -42.52 89.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.846 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.867 ' HD2' ' HE2' ' B' ' 99' ' ' TYR . 32.6 mtp180 -56.66 -51.5 68.49 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.983 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.0 m -62.19 -41.82 98.71 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.071 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.454 ' HB3' HG23 ' A' ' 114' ' ' VAL . 96.3 mt -63.38 -36.86 85.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.382 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 105' ' ' TYR . 92.3 t -73.79 -46.21 47.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.244 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -66.07 -27.63 68.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.903 0.382 . . . . 0.0 111.942 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -87.51 3.6 46.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.982 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 63.68 31.81 82.04 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.958 -0.564 . . . . 0.0 113.516 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.42 -33.76 13.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.857 0.36 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.454 HG23 ' HB3' ' A' ' 108' ' ' LEU . 53.3 t -69.61 -31.66 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.24 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -82.98 53.06 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.816 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -25.15 58.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.347 0.594 . . . . 0.0 110.073 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -126.64 111.88 14.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.818 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -113.92 117.41 31.31 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt . . . . . 0 C--O 1.253 1.265 0 CA-C-O 117.853 -1.07 . . . . 0.0 110.556 -178.863 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.56 -31.82 68.34 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.141 0.496 . . . . 0.0 110.343 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 40.1 mp0 -60.53 -32.53 71.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.482 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.69 -41.53 13.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.1 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 86' ' ' ARG . 16.3 ttp85 -59.91 -46.79 88.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.939 -179.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.537 ' O ' HG23 ' B' ' 91' ' ' VAL . 35.3 mt-10 -64.46 -41.48 96.49 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.59 91.68 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.627 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -65.81 -36.1 82.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.663 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 33.7 ttt-85 -69.53 -24.57 63.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 87' ' ' GLU . 84.4 t -66.38 -25.17 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.324 0.583 . . . . 0.0 109.678 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -82.47 -21.42 35.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.3 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -75.35 118.59 18.41 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.492 ' HZ2' ' H ' ' A' ' 5' ' ' SER . 11.2 mttt -102.17 3.39 38.37 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -177.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.417 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 1.2 m-20 -129.92 -30.29 2.03 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.551 -0.46 . . . . 0.0 112.236 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.56 73.72 1.23 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.05 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -156.61 -14.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.65 0.262 . . . . 0.0 111.678 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' GLY . . . . . 0.592 ' HA2' ' HE2' ' B' ' 138' ' ' TYR . . . 89.9 9.1 66.38 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.869 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' TYR . . . . . 0.867 ' HE2' ' HD2' ' A' ' 106' ' ' ARG . 22.5 m-85 -102.17 126.54 49.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.408 -0.396 . . . . 0.0 110.509 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 16.4 pt -133.68 176.92 7.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.147 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.09 159.06 16.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.141 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.95 -20.37 65.88 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.97 -58.54 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.856 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.619 ' O ' HG23 ' B' ' 108' ' ' VAL . 3.5 mp0 -68.84 -31.2 69.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 43.0 tp -52.54 -51.87 57.59 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.391 0.432 . . . . 0.0 111.778 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -68.56 -25.78 65.07 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.999 0.428 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -76.1 -25.39 55.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.081 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.619 HG23 ' O ' ' B' ' 104' ' ' GLU . 55.3 t -66.72 -47.26 83.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 72.9 mtp -62.19 -39.82 94.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.395 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.29 -38.39 68.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.153 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.15 -37.76 81.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.23 -21.49 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.047 0.451 . . . . 0.0 110.91 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.96 36.67 7.6 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.332 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.462 ' HA ' ' OE1' ' B' ' 114' ' ' GLU . 3.7 mm-40 -71.07 146.79 49.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.7 0.286 . . . . 0.0 110.365 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -95.75 14.98 21.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.101 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 tp -76.33 133.51 39.96 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' THR . . . . . 0.403 ' O ' HG23 ' B' ' 121' ' ' VAL . 54.4 p -69.55 155.93 39.7 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.785 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.77 -31.58 69.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.075 0.464 . . . . 0.0 110.051 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.582 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 42.9 mm-40 -65.69 -46.61 78.37 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.905 178.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -60.5 -38.31 83.92 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.802 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 117' ' ' THR . 57.5 t -62.95 -46.73 95.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -36.22 82.86 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.188 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 123' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 47.0 mt-10 -60.64 -44.46 96.37 Favored 'General case' 0 N--CA 1.458 -0.068 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.936 178.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 50.5 mtt -66.07 -39.1 89.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.778 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.872 HG23 HD12 ' B' ' 130' ' ' ILE . 67.2 mt -57.85 -40.98 78.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.123 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -76.67 -17.69 58.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.976 -0.557 . . . . 0.0 112.014 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' B' ' 123' ' ' GLU . 77.1 mm-40 -82.97 -36.92 24.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.064 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.9 -165.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.566 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -112.73 108.79 17.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.237 0.541 . . . . 0.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.872 HD12 HG23 ' B' ' 125' ' ' ILE . 52.1 mt -134.8 -72.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.606 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -71.04 130.57 41.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.062 0.458 . . . . 0.0 110.283 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' GLY . . . . . 0.433 ' HA2' HG12 ' A' ' 109' ' ' VAL . . . 82.32 6.91 88.31 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.753 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.05 -13.21 9.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.88 0.371 . . . . 0.0 111.592 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 134' ' ' GLY . . . . . 0.64 ' HA3' ' HA ' ' A' ' 106' ' ' ARG . . . 99.83 -95.11 1.44 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.558 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 135' ' ' GLN . . . . . 0.412 ' HB2' ' HD2' ' B' ' 99' ' ' TYR . 84.0 mm-40 -110.52 167.62 10.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -112.31 148.6 15.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.366 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -107.11 150.58 26.41 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 138' ' ' TYR . . . . . 0.592 ' HE2' ' HA2' ' B' ' 98' ' ' GLY . 25.2 p90 -93.11 -14.43 27.26 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.75 -47.4 84.79 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -63.22 -40.92 98.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.926 0.393 . . . . 0.0 111.045 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -66.39 -42.95 87.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.243 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 77.0 t -61.36 -47.01 95.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.695 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -58.72 -43.09 90.05 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.061 0.458 . . . . 0.0 110.61 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 47.1 ttp -65.01 -36.72 85.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 25.7 ttm -69.7 -42.02 74.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.463 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 2.9 p -72.78 -34.63 67.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.88 0.371 . . . . 0.0 111.905 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.83 75.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.569 -179.839 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.007 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -81.55 35.95 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.772 2.315 . . . . 0.0 112.093 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -124.99 23.47 7.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.065 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' B' ' 92' ' ' PHE . . . -154.81 138.12 5.99 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.682 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 p -68.8 -32.46 72.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.184 0.516 . . . . 0.0 110.985 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -62.78 -31.86 72.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.638 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -61.42 -36.36 80.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.757 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.8 ttt -58.95 -52.1 67.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.652 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.47 -34.65 74.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.895 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.5 tp -60.1 -55.61 31.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.887 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -63.97 -36.52 84.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.802 0.334 . . . . 0.0 111.044 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -56.63 -51.56 68.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.761 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.8 m -75.18 -34.92 61.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.574 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.16 -39.67 72.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.303 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.542 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . . . -58.08 -46.73 84.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.887 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.6 ptp -78.93 -11.28 60.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.505 HG21 ' H ' ' A' ' 25' ' ' ILE . 23.9 m -70.44 -23.8 62.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.27 0.557 . . . . 0.0 109.858 179.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.542 ' NH1' ' HA ' ' A' ' 15' ' ' ALA . 33.0 mtt180 -80.7 -5.47 57.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.156 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -97.84 -18.4 18.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -104.9 158.98 16.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.279 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -114.21 150.13 34.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.247 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 71.21 17.15 6.07 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.607 0.567 . . . . 0.0 111.444 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -130.93 133.54 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.835 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -145.31 91.97 2.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.051 0.453 . . . . 0.0 110.51 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.505 ' H ' HG21 ' A' ' 17' ' ' THR . 61.8 mt -80.12 95.05 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.306 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -92.02 -41.93 10.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.389 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -150.96 152.21 33.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.672 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.552 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 67.2 m-85 -75.21 66.89 1.77 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.806 0.336 . . . . 0.0 111.618 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -166.1 -81.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.046 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.78 -30.03 66.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.509 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.408 ' HB3' ' HA ' ' A' ' 25' ' ' ILE . 2.1 m -82.65 -1.75 52.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.552 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 34.2 m95 -114.18 3.01 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.564 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -74.38 -14.87 60.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.193 0.52 . . . . 0.0 110.357 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -23.29 60.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.09 -44.83 2.89 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.019 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 78.0 mmm -50.06 -29.52 9.02 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.303 0.641 . . . . 0.0 112.681 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.33 -36.37 66.19 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -63.43 -53.18 56.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.948 0.404 . . . . 0.0 111.006 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 55.9 m -63.99 -34.89 79.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.458 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.01 98.04 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 110.576 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.51 -48.79 73.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.717 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.8 mm -61.8 -37.36 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.025 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -61.06 -26.16 67.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.098 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -72.68 -20.44 61.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.02 0.438 . . . . 0.0 111.417 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -108.44 -42.75 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.513 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -115.37 96.11 44.82 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.658 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.58 -36.68 10.82 Favored 'Trans proline' 0 CA--C 1.526 0.12 0 C-N-CA 122.568 2.179 . . . . 0.0 110.889 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -87.94 30.3 0.86 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.389 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.827 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -92.06 -49.04 6.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.387 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -167.69 172.7 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.634 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -98.19 115.8 29.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.783 0.325 . . . . 0.0 110.428 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.494 ' HA ' HD12 ' A' ' 55' ' ' LEU . 82.5 t80 -72.73 -27.61 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.852 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.32 -19.41 60.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.046 0.45 . . . . 0.0 110.27 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -91.12 -6.86 53.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.896 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 52' ' ' TYR . 84.0 mt -84.59 118.75 24.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.009 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.582 ' H ' ' HD2' ' A' ' 59' ' ' LYS . 1.4 m-20 -99.14 153.16 37.93 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.173 -179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -64.54 -20.79 66.03 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.518 2.145 . . . . 0.0 110.662 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.3 1.78 56.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.475 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HD2' ' H ' ' A' ' 56' ' ' ASP . 78.5 mttt -107.7 29.01 7.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.214 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 60' ' ' ARG . 39.1 mtm180 -59.03 -38.97 80.52 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.774 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -34.86 77.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.001 0.429 . . . . 0.0 110.393 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -82.69 -34.1 27.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.399 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -57.59 -49.58 75.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.812 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.639 ' HB2' HG13 ' A' ' 83' ' ' VAL . 31.1 m-85 -58.61 -54.24 49.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.076 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.513 HG23 HG21 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -61.6 -40.14 93.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.512 -179.755 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.51 -50.74 71.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.524 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.422 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -62.01 -50.15 73.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.222 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -58.93 -54.51 46.29 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -60.92 -38.1 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.827 HG21 ' HB1' ' A' ' 49' ' ' ALA . 38.2 m -69.46 -42.68 74.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.217 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.41 -39.74 89.17 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.516 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 76' ' ' ASP . 4.0 tm-20 -71.95 -21.18 61.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.082 0.467 . . . . 0.0 110.799 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -87.79 -48.44 7.83 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.0 mt -90.24 -45.12 9.28 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.736 ' HA ' ' HE3' ' A' ' 111' ' ' LYS . . . -95.23 -5.3 44.1 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 72' ' ' GLU . 4.6 p-10 42.97 50.67 5.32 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.1 p -78.74 172.71 13.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.462 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.7 125.42 40.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.756 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -74.64 82.26 2.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.9 mt -86.68 -4.44 59.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.79 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.44 152.06 51.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.834 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -114.01 146.88 39.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.101 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.639 HG13 ' HB2' ' A' ' 64' ' ' PHE . 56.8 t -63.42 -51.96 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.243 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.67 -42.65 83.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.79 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.36 -46.9 78.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.664 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 58.1 mtp -62.08 -37.61 85.71 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.8 t -72.85 -37.15 53.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.274 0.559 . . . . 0.0 110.049 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 88' ' ' ARG . 39.5 ttp180 -69.33 -46.45 67.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.582 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.36 -33.44 42.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.812 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 74.91 -51.52 0.67 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.347 0.659 . . . . 0.0 112.054 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.1 t -101.89 107.06 50.66 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.72 158.92 52.22 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.358 2.038 . . . . 0.0 111.773 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.469 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 26.7 t70 -84.83 130.03 34.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 m -55.49 -45.08 77.05 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -62.97 -36.22 82.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.85 0.357 . . . . 0.0 111.076 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 60.5 m -69.29 -43.16 74.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.95 0.405 . . . . 0.0 110.543 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 101' ' ' ILE . 59.1 t -68.45 -37.25 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.56 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -53.33 -51.68 61.63 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.326 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 m -66.63 -34.62 78.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.516 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -63.2 -50.26 70.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 109.996 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 97' ' ' VAL . 46.1 mm -65.46 -37.79 80.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.868 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 41.4 tt0 -58.44 -47.44 83.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.455 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -69.67 -45.32 68.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.767 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.1 tp -56.93 -42.22 79.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.476 ' O ' HG23 ' A' ' 109' ' ' VAL . 72.9 t80 -57.27 -42.67 82.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.717 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 58.1 mtp180 -59.7 -47.49 85.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.534 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -61.56 -41.86 98.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.24 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.8 mt -67.87 -25.81 65.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.476 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 105' ' ' TYR . 42.6 t -73.73 -54.4 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.851 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.405 ' H ' ' HG2' ' A' ' 110' ' ' GLN . 3.1 pt20 -65.4 -25.6 67.62 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.736 ' HE3' ' HA ' ' A' ' 75' ' ' ALA . 50.0 mttm -82.53 -7.43 59.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.793 0.33 . . . . 0.0 110.972 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.49 48.93 33.87 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.8 mt -117.25 -30.57 5.57 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.56 -44.94 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 111.184 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -81.73 64.43 6.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.1 0.476 . . . . 0.0 110.654 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.28 -20.49 57.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.304 0.573 . . . . 0.0 109.946 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -134.93 118.54 17.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.384 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -112.17 115.44 28.85 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.987 -178.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.458 ' HG3' HG21 ' B' ' 146' ' ' THR . 11.6 tt0 . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.73 -37.8 74.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.828 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -62.03 -42.28 99.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.95 0.405 . . . . 0.0 110.017 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 67.6 mt -64.98 -46.01 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.024 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 60.6 mtp85 -60.71 -45.58 93.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.515 ' O ' HG23 ' B' ' 91' ' ' VAL . 12.7 tp10 -66.25 -39.99 89.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.02 -48.16 70.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.897 0.38 . . . . 0.0 111.231 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -73.51 -31.37 63.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.081 0.467 . . . . 0.0 110.529 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -65.99 -33.15 75.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.021 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 87' ' ' GLU . 55.6 t -61.42 -35.68 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.954 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' PHE . . . . . 0.529 ' O ' ' HA2' ' A' ' 4' ' ' GLY . 20.4 m-85 -72.62 -29.17 63.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.254 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -81.3 120.21 24.64 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -101.72 5.17 41.23 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.49 -12.78 3.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.87 55.71 4.78 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.609 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -107.81 -35.39 6.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.937 0.399 . . . . 0.0 110.549 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 97.72 -9.71 64.27 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.718 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -107.3 120.22 41.53 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.866 0.365 . . . . 0.0 110.655 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 21.1 pt -124.69 173.95 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.099 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 25.8 p -86.93 160.98 18.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ALA . . . . . 0.472 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -64.67 -30.44 71.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.62 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.38 -51.1 62.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.014 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.593 ' O ' HG23 ' B' ' 108' ' ' VAL . 3.3 mp0 -64.63 -45.59 86.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.615 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.76 -51.25 69.63 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.942 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.584 ' HG3' HG11 ' B' ' 121' ' ' VAL . 21.1 ttt180 -61.37 -31.93 71.84 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.065 0.46 . . . . 0.0 110.481 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -72.49 -37.28 68.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.631 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 104' ' ' GLU . 48.0 t -62.5 -46.19 96.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.541 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 87.7 mtp -56.6 -42.81 79.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.428 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.03 -38.76 56.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.658 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -65.05 -23.45 67.18 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.652 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 31.9 mt -78.55 -10.65 59.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.673 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.38 15.15 74.75 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.233 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -64.44 127.21 30.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.684 0.278 . . . . 0.0 110.622 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -78.75 82.43 4.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.467 ' HG ' ' HB2' ' B' ' 120' ' ' GLU . 11.4 tp -134.61 127.98 32.28 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.613 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.18 153.45 37.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.781 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -39.48 79.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.78 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -62.5 -36.23 81.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.945 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.467 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 66.5 mm-40 -60.68 -48.32 82.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.068 0.461 . . . . 0.0 109.83 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.584 HG11 ' HG3' ' B' ' 106' ' ' ARG . 26.3 t -64.5 -43.88 96.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.125 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -41.94 95.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.482 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 123' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' B' ' 127' ' ' GLU . 72.6 mt-10 -63.29 -42.86 99.11 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.731 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 60.1 mtt -63.37 -38.31 90.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.948 0.404 . . . . 0.0 110.18 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.582 HG23 HD12 ' B' ' 130' ' ' ILE . 81.7 mt -63.22 -35.85 73.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.167 0.508 . . . . 0.0 109.927 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -71.14 -17.06 62.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.533 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 123' ' ' GLU . 11.8 mt-10 -95.68 -22.66 17.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 111.195 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.48 156.18 18.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.012 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -80.17 50.39 1.23 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.028 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.905 HG12 HG21 ' B' ' 136' ' ' VAL . 61.1 mt -83.18 -49.38 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.262 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -74.82 126.68 31.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.917 0.389 . . . . 0.0 110.734 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.91 -0.45 55.11 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -125.34 -174.39 3.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.558 -0.321 . . . . 0.0 110.472 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -104.46 -60.5 0.67 Allowed Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.085 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -129.01 155.79 44.83 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' VAL . . . . . 0.905 HG21 HG12 ' B' ' 130' ' ' ILE . 11.4 t -127.59 146.86 32.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 137' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 24.2 p-10 -78.86 135.73 37.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.167 0.508 . . . . 0.0 111.243 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 138' ' ' TYR . . . . . 0.417 ' O ' HG23 ' B' ' 142' ' ' VAL . 38.8 p90 -79.27 -9.76 59.65 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.19 -54.91 37.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.885 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -56.03 -40.64 73.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -65.04 -46.24 82.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.713 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 142' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 138' ' ' TYR . 86.7 t -61.58 -42.37 93.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.249 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -64.95 -45.46 85.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.215 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 59.4 mtm -63.88 -39.96 95.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.985 0.422 . . . . 0.0 111.494 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 57.6 mtm -66.4 -33.11 74.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.8 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 146' ' ' THR . . . . . 0.458 HG21 ' HG3' ' B' ' 82' ' ' GLU . 1.3 p -83.06 -13.5 55.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.996 0.427 . . . . 0.0 111.483 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -82.64 -23.12 34.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.351 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.573 -0.727 . . . . 0.0 110.287 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.709 0 N-CA-C 111.901 -0.48 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.589 ' HB2' ' OH ' ' A' ' 98' ' ' TYR . 5.5 p -58.42 -44.56 89.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.184 0.516 . . . . 0.0 110.831 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -64.59 -25.03 67.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -70.97 -35.53 72.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.754 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.9 ttt -61.54 -50.65 71.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.807 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.8 mt -71.52 -29.31 64.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.933 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -59.99 -56.0 27.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.52 -34.94 79.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.7 t90 -60.12 -50.49 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.836 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 m -72.81 -36.12 67.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -63.74 -30.43 71.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.48 77.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.034 0.445 . . . . 0.0 110.211 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.4 mtt -82.67 -20.29 36.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.609 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -67.39 -23.96 65.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.318 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -76.38 -10.28 59.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.388 0.613 . . . . 0.0 110.458 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -106.96 15.47 25.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.232 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -138.45 164.57 29.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.45 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -127.54 158.57 37.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.844 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 68.76 7.12 5.94 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.442 0.639 . . . . 0.0 110.66 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.9 t -131.22 129.97 63.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.119 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' O ' ' HB3' ' A' ' 31' ' ' SER . 24.6 t0 -145.2 110.88 5.39 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.523 ' HA ' ' HB3' ' A' ' 31' ' ' SER . 56.0 mt -91.06 95.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.613 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -86.43 -38.14 17.63 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -151.92 159.23 43.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.619 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.423 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 87.0 m-85 -80.19 62.19 4.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.698 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -163.58 -86.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.275 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -59.49 -38.76 81.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.098 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.523 ' HB3' ' HA ' ' A' ' 25' ' ' ILE . 1.5 m -69.74 -10.09 57.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.423 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 64.7 m95 -105.75 3.82 29.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.876 0.369 . . . . 0.0 111.04 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.5 t -72.2 -18.61 61.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.801 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 p -75.2 -21.38 58.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.17 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.41 -41.7 2.52 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.304 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.9 mmm -52.54 -28.71 21.88 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.189 0.596 . . . . 0.0 112.085 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.01 74.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.546 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.407 ' O ' HG12 ' A' ' 42' ' ' ILE . 55.8 m-85 -66.1 -49.19 68.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.085 0.469 . . . . 0.0 110.401 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.2 m -63.18 -37.62 87.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.797 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.5 95.42 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.661 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.0 tp -66.17 -47.93 72.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.949 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 38' ' ' PHE . 49.1 mm -62.55 -41.35 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.984 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -64.45 -29.3 70.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.482 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.06 -34.86 77.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.688 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -89.98 -36.52 14.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.899 0.38 . . . . 0.0 111.269 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -120.3 91.72 46.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -67.64 -26.76 39.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.788 2.325 . . . . 0.0 111.768 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -89.26 8.01 32.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.965 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.643 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -73.97 -55.79 5.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.82 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -164.21 172.39 13.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.266 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -96.91 108.8 21.58 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -66.2 -31.52 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.043 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.7 -18.68 62.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.881 0.372 . . . . 0.0 111.261 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -91.7 -4.73 54.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.26 0.553 . . . . 0.0 110.482 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.68 134.19 33.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.194 0.521 . . . . 0.0 111.773 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -111.36 146.9 35.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.928 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.9 -19.63 64.13 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 122.237 1.958 . . . . 0.0 110.917 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.54 -9.95 58.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.502 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -95.85 26.88 3.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.07 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -55.33 -32.71 62.73 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -37.13 82.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.664 0.268 . . . . 0.0 110.783 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -95.08 -23.09 17.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.763 0.316 . . . . 0.0 110.85 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -56.57 -53.55 56.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.568 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.718 ' HB2' HG13 ' A' ' 83' ' ' VAL . 62.9 m-85 -60.78 -45.32 94.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 111.562 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -62.0 -42.18 98.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.772 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.7 tp -62.61 -47.11 85.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.544 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.43 -54.59 37.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.561 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -60.72 -54.18 48.35 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.5 m -59.13 -45.43 90.94 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.643 HG21 ' HB1' ' A' ' 49' ' ' ALA . 12.9 m -66.21 -39.71 89.83 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.231 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.91 -35.94 81.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.986 0.422 . . . . 0.0 110.509 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' HA ' ' H ' ' A' ' 77' ' ' CYS . 2.0 tm-20 -78.23 -25.6 47.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.198 0.523 . . . . 0.0 110.564 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -79.86 -37.88 33.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.142 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.1 mt -103.94 -18.48 14.59 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.07 11.58 3.91 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 42.72 45.19 4.04 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.448 ' H ' ' HA ' ' A' ' 72' ' ' GLU . 12.5 p -67.85 140.77 56.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.91 118.69 13.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.289 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -77.2 81.28 3.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.233 0.539 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.0 mt -85.96 -18.62 32.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.439 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 96' ' ' CYS . 83.9 mt -114.59 160.62 19.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.262 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -125.82 153.94 43.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.765 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.718 HG13 ' HB2' ' A' ' 64' ' ' PHE . 33.8 t -66.7 -52.68 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.398 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -59.27 -45.1 92.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.974 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.43 -50.39 74.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.785 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.3 mtp -63.34 -42.44 98.95 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.15 -42.87 85.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.994 0.426 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 88' ' ' ARG . 39.8 ttp-105 -64.51 -40.86 96.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.226 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.4 mt -83.06 -30.08 28.32 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.67 -51.83 0.7 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.269 0.628 . . . . 0.0 112.0 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.8 t -110.29 109.73 58.46 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -81.15 160.84 20.48 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.841 2.36 . . . . 0.0 112.093 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.561 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 10.1 t70 -77.57 140.07 39.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.14 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.2 m -61.53 -31.23 71.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.05 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -70.05 -38.53 75.85 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.961 0.41 . . . . 0.0 110.325 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.561 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 32.1 m -66.51 -44.68 81.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.115 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 101' ' ' ILE . 50.1 t -65.98 -44.3 92.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.271 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.589 ' OH ' ' HB2' ' A' ' 5' ' ' SER . 84.0 t80 -56.9 -49.94 74.05 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.8 m -61.79 -38.41 87.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.373 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -63.17 -48.92 76.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.942 0.401 . . . . 0.0 110.207 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 97' ' ' VAL . 44.5 mm -69.78 -32.19 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.311 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.623 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 24.7 tt0 -55.88 -61.96 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.042 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -34.3 77.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 49.6 tp -62.53 -49.04 76.91 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.547 ' O ' HG23 ' A' ' 109' ' ' VAL . 63.7 t80 -56.66 -50.47 72.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.259 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 63.7 mtp180 -57.17 -44.09 83.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.057 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.688 ' HA ' HE21 ' A' ' 110' ' ' GLN . 49.0 m -63.89 -36.37 83.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.226 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 76.4 mt -72.59 -38.88 67.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.342 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 105' ' ' TYR . 26.0 t -70.53 -42.32 78.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.555 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.688 HE21 ' HA ' ' A' ' 107' ' ' SER . 28.2 pt20 -66.84 -18.97 65.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.083 0.468 . . . . 0.0 111.696 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -99.68 8.36 44.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.092 0.473 . . . . 0.0 110.64 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.16 41.71 94.77 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.616 -0.72 . . . . 0.0 113.784 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 35.8 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.917 0.358 . . . . 0.0 111.928 179.483 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -64.05 -21.89 66.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.056 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 -60.03 -34.37 73.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.002 0.43 . . . . 0.0 110.294 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 48.9 mt -68.84 -42.33 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.755 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -65.62 -45.09 84.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.162 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.511 ' O ' HG23 ' B' ' 91' ' ' VAL . 67.2 mm-40 -62.27 -35.64 79.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.269 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.64 -40.4 83.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.963 0.411 . . . . 0.0 110.391 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.403 ' HE1' HD12 ' B' ' 105' ' ' LEU . 60.7 m-85 -81.42 -29.05 34.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.15 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -65.02 -25.6 67.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.824 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 87' ' ' GLU . 94.0 t -68.53 -38.15 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -77.09 -44.75 29.42 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.804 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -76.95 94.72 3.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -80.21 15.56 1.51 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -133.5 -27.43 1.54 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.833 0.349 . . . . 0.0 111.355 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.05 52.61 4.0 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -107.15 -33.72 7.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.665 0.269 . . . . 0.0 111.644 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' GLY . . . . . 0.606 ' HA2' ' CZ ' ' B' ' 138' ' ' TYR . . . 103.92 6.64 42.75 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.501 -0.856 . . . . 0.0 113.658 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' TYR . . . . . 0.631 ' HB3' ' HB3' ' B' ' 135' ' ' GLN . 98.9 m-85 -124.49 129.31 50.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.843 0.321 . . . . 0.0 111.163 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.49 HG12 ' HD2' ' B' ' 138' ' ' TYR . 18.8 pt -138.36 -171.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 5.1 p -92.97 159.94 15.1 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.06 -27.65 65.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.982 0.42 . . . . 0.0 110.426 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.51 -46.29 60.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.302 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.573 ' O ' HG23 ' B' ' 108' ' ' VAL . 0.8 OUTLIER -67.75 -34.78 77.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.261 179.663 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.403 HD12 ' HE1' ' B' ' 89' ' ' PHE . 12.4 tp -58.28 -49.23 77.87 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.68 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -61.03 -35.62 77.38 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.741 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -66.44 -34.52 78.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.264 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 104' ' ' GLU . 24.0 t -72.63 -41.81 62.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.964 0.412 . . . . 0.0 110.033 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.81 -41.23 90.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.072 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 3.2 p -78.14 -20.37 52.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.018 0.437 . . . . 0.0 110.939 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -76.35 -33.09 58.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.307 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.28 -14.76 63.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.347 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.67 31.22 54.68 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.084 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.59 152.94 37.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.752 0.31 . . . . 0.0 111.319 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -94.08 30.48 1.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -106.21 143.23 34.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.9 0.381 . . . . 0.0 110.828 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . 0.458 ' O ' HG23 ' B' ' 121' ' ' VAL . 17.3 p -81.74 163.68 22.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.278 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.56 -36.87 72.22 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.183 0.516 . . . . 0.0 110.004 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' B' ' 123' ' ' GLU . 2.5 mp0 -57.62 -48.95 78.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.396 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -63.11 -36.8 84.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 117' ' ' THR . 61.6 t -61.73 -46.8 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.427 ' HA ' ' HB ' ' B' ' 125' ' ' ILE . 2.2 m-20 -66.93 -31.53 72.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.043 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' B' ' 119' ' ' GLU . 72.2 mm-40 -61.3 -49.13 78.25 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 66.6 mtt -67.91 -38.49 83.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.048 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.883 HG23 HG13 ' B' ' 130' ' ' ILE . 8.7 mt -61.65 -40.69 87.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.83 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' B' ' 126' ' ' ARG . 5.3 mtm105 -69.5 -15.26 63.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.383 . . . . 0.0 111.217 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -104.72 18.48 22.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.245 0.545 . . . . 0.0 109.899 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -136.15 179.12 6.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.977 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -93.31 115.86 28.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.883 HG13 HG23 ' B' ' 125' ' ' ILE . 34.6 mm -125.7 -70.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.379 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -87.74 63.51 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.379 0.609 . . . . 0.0 110.717 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -138.1 -68.83 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.85 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -103.49 -27.61 12.27 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.58 -23.41 28.28 Favored Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.54 -0.838 . . . . 0.0 114.953 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . 0.631 ' HB3' ' HB3' ' B' ' 99' ' ' TYR . 26.3 mm-40 -112.32 112.69 24.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.509 0.654 . . . . 0.0 111.283 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 39.4 t -94.1 124.6 46.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.083 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 137' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 0.2 OUTLIER -75.02 115.47 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.677 178.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' TYR . . . . . 0.606 ' CZ ' ' HA2' ' B' ' 98' ' ' GLY . 8.5 p90 -73.54 -19.89 60.79 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.95 -38.7 73.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.161 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -62.1 -40.48 96.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.241 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -71.6 -38.75 70.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.21 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 138' ' ' TYR . 97.7 t -60.4 -50.61 79.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.183 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -59.82 -46.08 90.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.924 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 37.1 ttm -59.41 -43.87 92.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.994 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 45.5 mtm -65.46 -38.24 89.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.801 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 38.2 p -74.73 -12.96 60.54 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.47 -24.1 18.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.134 0.492 . . . . 0.0 110.153 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.69 -0.671 . . . . 0.0 109.446 179.581 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.751 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -48.04 79.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.034 0.445 . . . . 0.0 110.654 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.649 ' HE3' ' HB2' ' B' ' 95' ' ' ASP . 57.2 mttt -65.67 -26.5 67.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.602 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.34 -32.6 74.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.573 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -60.01 -52.15 66.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.21 -40.7 86.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.49 -50.13 73.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.173 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.55 -45.2 95.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.002 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -63.11 -48.42 78.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t -65.24 -50.82 64.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.453 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -56.07 -32.18 63.86 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 -30.96 72.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.001 0.429 . . . . 0.0 110.817 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.9 mtm -93.37 -40.78 10.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.808 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -65.19 -23.38 67.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.095 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 ttm-85 -64.26 -20.44 66.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.076 0.465 . . . . 0.0 110.832 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -78.92 -19.48 51.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.892 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -94.05 103.71 15.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.664 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -62.42 148.37 45.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.195 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 76.82 -6.23 2.05 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.686 0.616 . . . . 0.0 111.452 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.57 78.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.048 0.451 . . . . 0.0 111.381 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.56 121.32 41.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.014 0.435 . . . . 0.0 110.48 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.6 mt -95.92 111.28 25.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.316 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -91.86 -50.01 5.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.349 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -153.46 169.94 21.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.473 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.413 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 80.4 m-85 -80.51 63.34 4.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.925 0.393 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 p -161.95 -87.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.737 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -62.03 -41.51 98.17 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -16.43 61.98 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 72.9 m95 -106.23 0.37 25.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.017 0.437 . . . . 0.0 110.781 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t -77.59 -13.88 59.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.592 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -17.11 45.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.281 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.9 -41.65 2.21 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 121.313 -0.47 . . . . 0.0 113.335 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.446 ' HB3' ' OH ' ' A' ' 52' ' ' TYR . 81.1 mmm -53.05 -25.77 13.72 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.31 93.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.702 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.418 ' O ' HG12 ' A' ' 42' ' ' ILE . 71.0 m-85 -65.55 -47.88 74.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.748 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.516 ' HB2' ' HE1' ' A' ' 52' ' ' TYR . 1.5 m -60.44 -36.62 78.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.582 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.55 -44.09 95.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.84 -41.8 91.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.989 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 38' ' ' PHE . 48.9 mm -62.82 -46.87 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -66.55 -27.83 68.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.266 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 44' ' ' LYS . 13.2 tptt -60.97 -39.86 91.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -94.3 -34.97 12.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.65 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -116.75 100.85 53.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 111.384 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -69.37 -27.14 28.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 111.639 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -86.82 3.26 45.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.546 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -61.5 -65.05 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -170.99 171.42 5.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.317 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.462 ' HB2' ' HB2' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -87.12 118.33 26.44 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.255 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' HE1' ' HB2' ' A' ' 39' ' ' CYS . 31.8 t80 -76.41 -35.71 58.44 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.39 -19.67 62.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.926 0.393 . . . . 0.0 111.576 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 63.7 mm-40 -90.38 0.72 57.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.534 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.7 mt -87.55 156.05 19.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.647 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 25.7 m-20 -128.21 136.19 28.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.255 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 56' ' ' ASP . 32.4 Cg_exo -64.35 -24.1 64.92 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.82 2.347 . . . . 0.0 111.198 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.04 -15.1 61.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.625 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.647 ' HD2' ' HB2' ' A' ' 56' ' ' ASP . 79.1 mttt -105.71 46.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.423 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HA ' ' HB2' ' A' ' 63' ' ' ASN . 20.2 mtm180 -59.73 -36.93 77.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.429 ' HG2' HG21 ' A' ' 87' ' ' VAL . 45.7 mtm105 -61.17 -47.98 83.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.132 0.491 . . . . 0.0 110.463 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -71.67 -30.6 65.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.151 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.423 ' HB2' ' HA ' ' A' ' 60' ' ' ARG . 1.1 m-20 -61.48 -52.69 63.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.33 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.505 ' HB2' HG13 ' A' ' 83' ' ' VAL . 25.4 m-85 -59.48 -45.26 92.17 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.437 ' OG1' HG11 ' A' ' 83' ' ' VAL . 40.8 m -58.53 -49.36 77.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.787 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.6 -46.05 91.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.446 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.91 75.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.391 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.547 ' HD2' HG22 ' A' ' 83' ' ' VAL . 15.5 m-85 -64.97 -47.58 77.09 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.7 p -59.89 -44.89 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 111.384 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.546 HG21 ' HB1' ' A' ' 49' ' ' ALA . 24.7 m -65.42 -40.99 94.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.782 0.325 . . . . 0.0 111.041 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.19 97.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.173 0.511 . . . . 0.0 110.208 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 76' ' ' ASP . 35.5 tt0 -70.66 -32.89 70.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.928 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -80.31 -39.29 28.99 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.5 mt -96.26 -30.55 13.39 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -177.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.21 -2.74 10.09 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER 56.12 42.06 28.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.989 0.423 . . . . 0.0 111.839 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 60.1 m -67.31 139.71 57.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.455 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.39 148.2 48.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.818 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -79.89 88.08 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.622 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.2 mt -98.54 -10.5 23.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.327 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' A' ' 96' ' ' CYS . 40.0 mt -139.52 145.06 38.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.32 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.573 ' HB2' ' CB ' ' A' ' 85' ' ' ASP . 19.1 mt-10 -100.4 141.47 33.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.151 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.547 HG22 ' HD2' ' A' ' 68' ' ' PHE . 63.3 t -62.12 -55.96 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.025 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.14 -35.23 79.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.345 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.573 ' CB ' ' HB2' ' A' ' 82' ' ' GLU . 32.9 t70 -65.23 -42.6 93.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.901 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 31.1 mtp -63.41 -37.51 87.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.429 HG21 ' HG2' ' A' ' 61' ' ' ARG . 41.8 t -70.01 -38.75 76.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.05 0.453 . . . . 0.0 110.112 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -67.26 -52.86 35.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.46 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.84 -30.94 71.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.272 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.07 -64.7 0.38 Allowed 'General case' 0 N--CA 1.465 0.299 0 O-C-N 124.009 0.818 . . . . 0.0 110.57 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.0 t -95.34 115.34 65.36 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.28 161.08 46.91 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.424 2.083 . . . . 0.0 112.431 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.44 139.27 31.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.112 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -58.24 -39.8 80.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.976 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -64.18 -46.77 82.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.721 0.296 . . . . 0.0 111.582 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.46 ' HB3' HD21 ' A' ' 81' ' ' LEU . 43.5 m -59.2 -41.49 88.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.397 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 101' ' ' ILE . 57.8 t -71.77 -42.9 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.099 0.476 . . . . 0.0 110.149 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -58.58 -53.21 60.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.849 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.1 t -65.02 -23.86 67.33 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -72.69 -50.57 23.99 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.962 0.411 . . . . 0.0 110.028 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 97' ' ' VAL . 24.1 mm -72.63 -27.74 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.39 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.804 ' HG2' ' HG3' ' B' ' 135' ' ' GLN . 13.5 tt0 -52.69 -62.51 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.492 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.477 ' OE2' ' HD2' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -74.12 -22.74 59.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.506 -179.39 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 54.7 tp -63.41 -38.47 91.28 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.472 ' HA ' HD12 ' A' ' 108' ' ' LEU . 6.7 t80 -61.49 -30.97 70.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.293 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.603 ' HG3' ' HA3' ' B' ' 134' ' ' GLY . 15.2 ttt180 -68.72 -21.21 64.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.486 0.66 . . . . 0.0 110.063 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 m -94.4 -0.74 54.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.312 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 105' ' ' TYR . 43.1 mt -107.49 -40.93 5.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.021 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.56 -43.29 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.419 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -59.9 -31.26 69.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.198 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.693 ' HB2' ' HG ' ' A' ' 113' ' ' LEU . 57.6 mmtt -80.71 -7.67 59.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.95 0.405 . . . . 0.0 110.892 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.56 22.47 77.89 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.618 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.693 ' HG ' ' HB2' ' A' ' 111' ' ' LYS . 88.7 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.017 0.437 . . . . 0.0 110.363 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.633 ' OE2' ' HD2' ' B' ' 86' ' ' ARG . 19.9 tt0 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.915 0.388 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 44.0 mp0 -54.06 -47.22 71.9 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.013 0.525 . . . . 0.0 112.193 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -61.67 -41.16 97.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.805 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.33 -45.87 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.399 . . . . 0.0 109.983 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.633 ' HD2' ' OE2' ' B' ' 82' ' ' GLU . 46.6 mtp85 -63.87 -40.74 97.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.825 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.472 ' O ' HG23 ' B' ' 91' ' ' VAL . 0.9 OUTLIER -66.19 -38.34 87.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.68 90.61 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.503 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -67.49 -33.15 74.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.18 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -69.35 -22.79 63.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.187 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 87' ' ' GLU . 60.4 t -66.56 -35.4 74.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.26 0.552 . . . . 0.0 109.761 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -79.41 -13.9 59.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -83.56 139.0 33.13 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -113.0 19.8 16.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.933 0.397 . . . . 0.0 111.167 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . 0.649 ' HB2' ' HE3' ' A' ' 6' ' ' LYS . 23.3 t70 -148.32 -44.68 0.15 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.315 0.579 . . . . 0.0 110.959 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.3 57.81 0.63 Allowed Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -120.52 -27.47 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.786 0.327 . . . . 0.0 111.008 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.0 24.69 43.71 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.197 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -122.54 121.26 36.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.645 0.26 . . . . 0.0 110.646 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 19.1 pt -137.56 -174.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.602 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 57.5 p -112.69 179.6 3.93 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.584 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . 0.696 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -64.53 -25.08 67.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.49 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.66 -50.75 68.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.57 ' O ' HG23 ' B' ' 108' ' ' VAL . 25.4 mp0 -71.07 -42.35 69.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.287 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 29.4 tp -54.26 -51.11 65.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.046 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.638 ' HG3' HG11 ' B' ' 121' ' ' VAL . 11.6 ttt180 -62.61 -28.17 69.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -80.45 -37.38 32.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.565 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 104' ' ' GLU . 64.9 t -64.28 -43.82 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 110.255 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 51.3 mtt -56.9 -41.44 78.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.38 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.61 -34.55 58.37 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.417 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -67.19 -23.96 65.81 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.847 0.356 . . . . 0.0 111.245 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 82.2 mt -77.58 -9.0 58.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.127 0.489 . . . . 0.0 110.37 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.87 22.0 64.74 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.468 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -76.99 133.32 39.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 110.598 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -88.96 58.15 4.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.062 0.458 . . . . 0.0 110.727 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.404 ' HG ' ' HB2' ' B' ' 120' ' ' GLU . 12.2 tp -101.56 121.78 42.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.664 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.87 151.37 34.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.157 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.84 -35.72 64.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.915 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 26.3 mm-40 -61.23 -44.49 97.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.099 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.404 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 19.0 mm-40 -61.22 -43.44 98.87 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.19 0.519 . . . . 0.0 110.347 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.638 HG11 ' HG3' ' B' ' 106' ' ' ARG . 47.4 t -63.67 -44.78 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.037 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.57 -36.63 84.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.016 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 64.4 mt-10 -64.41 -39.25 93.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' MET . . . . . 0.475 ' HB3' ' HE1' ' B' ' 141' ' ' PHE . 59.7 mtt -64.77 -34.49 78.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.041 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.481 ' HA ' HD12 ' B' ' 130' ' ' ILE . 89.3 mt -66.11 -28.49 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 121.268 0.556 . . . . 0.0 109.967 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -80.36 -32.64 37.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.641 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.85 -35.95 79.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.584 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.27 173.43 6.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.554 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -99.71 81.72 2.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.4 0.619 . . . . 0.0 110.471 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.696 HG21 ' HB2' ' B' ' 102' ' ' ALA . 57.4 mt -105.83 -79.68 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.059 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.2 129.48 40.02 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.96 0.41 . . . . 0.0 111.098 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.1 -5.6 78.6 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.572 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' ASP . . . . . 0.403 ' HB3' ' H ' ' B' ' 134' ' ' GLY . 0.4 OUTLIER -113.6 -89.9 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.27 -0.172 . . . . 0.0 111.208 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' GLY . . . . . 0.603 ' HA3' ' HG3' ' A' ' 106' ' ' ARG . . . -177.54 -114.92 0.42 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.11 -1.043 . . . . 0.0 113.943 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . 0.804 ' HG3' ' HG2' ' A' ' 102' ' ' GLN . 64.3 mm-40 -79.95 157.29 26.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 111.991 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 6.5 t -125.35 129.48 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.542 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -93.69 119.53 32.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.099 0.476 . . . . 0.0 110.357 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -60.34 -24.3 64.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -57.57 -38.52 74.95 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -62.86 -38.53 91.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.943 0.402 . . . . 0.0 111.052 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . 0.475 ' HE1' ' HB3' ' B' ' 124' ' ' MET . 62.0 m-85 -75.42 -36.94 60.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.957 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.25 -48.53 88.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.977 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -64.46 -40.01 94.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 43.2 ttm -65.92 -41.82 90.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.05 0.452 . . . . 0.0 110.789 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 66.6 mtm -65.89 -29.34 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.908 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 2.9 p -89.48 -3.43 58.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.145 0.498 . . . . 0.0 111.308 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -108.97 10.85 26.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.219 0.533 . . . . 0.0 110.409 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.169 179.694 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -65.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.807 0.337 . . . . 0.0 111.457 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -65.99 -9.53 31.07 Favored 'General case' 0 C--O 1.227 -0.086 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -60.15 -35.72 75.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 0.0 110.207 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.3 ttt -68.28 -45.91 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.248 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.4 mt -68.82 -34.96 76.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.962 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.34 -49.02 77.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.917 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.9 -42.21 98.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.891 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -58.73 -56.17 25.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.803 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.4 p -65.74 -34.63 78.63 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -64.7 -43.37 93.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.121 179.442 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.33 -35.7 68.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.953 0.406 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 54.0 tpp -67.02 -50.75 61.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.011 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -86.34 8.86 19.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.544 -179.379 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 31.5 ttt180 -68.42 -24.36 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.088 0.47 . . . . 0.0 110.532 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -91.0 7.56 39.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.364 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.54 ' HB2' HG22 ' A' ' 17' ' ' THR . 37.9 m-85 -110.79 122.42 47.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.394 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.79 154.49 25.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.357 -179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.3 t60 71.28 6.97 5.97 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.245 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.0 t -126.46 118.36 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.096 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -134.0 114.6 13.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.371 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.2 mt -93.47 93.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.145 0.497 . . . . 0.0 110.929 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -87.87 -36.46 17.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.392 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -164.23 160.61 21.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.752 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.48 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 71.2 m-85 -80.55 64.28 5.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.949 0.404 . . . . 0.0 111.983 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 p -158.06 -80.2 0.07 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.4 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -41.15 92.87 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 m -67.09 -14.66 63.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.889 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.48 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 58.7 m95 -108.68 5.12 24.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.775 0.321 . . . . 0.0 111.325 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -31.9 63.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.897 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -32.07 57.94 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.911 179.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.95 -20.31 33.32 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.563 -0.744 . . . . 0.0 113.091 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.8 mtp -60.82 -30.32 70.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.732 0.301 . . . . 0.0 111.7 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.95 74.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.424 ' O ' HG12 ' A' ' 42' ' ' ILE . 1.0 OUTLIER -64.38 -51.12 64.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.949 0.404 . . . . 0.0 110.369 179.666 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.22 -37.81 86.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.573 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.07 -45.59 92.84 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.037 0.446 . . . . 0.0 110.736 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.5 tp -66.75 -44.75 80.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 38' ' ' PHE . 43.5 mm -63.27 -42.81 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.967 0.413 . . . . 0.0 111.02 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -67.58 -23.49 65.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.478 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG2' ' OH ' ' A' ' 20' ' ' TYR . 4.3 tmtm? -63.34 -38.71 92.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.998 0.428 . . . . 0.0 110.068 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -94.31 -36.25 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.343 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.44 ' HZ ' ' HB2' ' A' ' 75' ' ' ALA . 59.7 m-85 -111.55 97.69 37.63 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 120.843 0.354 . . . . 0.0 110.809 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -70.45 -33.99 13.05 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.897 2.398 . . . . 0.0 112.05 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -86.29 12.55 9.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.006 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.37 -61.93 1.74 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.817 0.341 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -167.45 156.94 10.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.251 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -87.41 123.84 32.78 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -67.44 -23.82 65.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.755 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.18 -13.39 59.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.883 0.373 . . . . 0.0 110.99 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -98.91 9.31 43.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.472 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.0 mt -111.29 121.54 45.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.152 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.14 148.01 37.45 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.259 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.28 -20.25 70.15 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.939 2.426 . . . . 0.0 112.203 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.33 -12.43 60.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -109.95 40.93 1.81 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.155 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -56.5 -32.18 64.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.057 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -66.07 -52.64 47.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.42 ' HA ' ' OG1' ' A' ' 65' ' ' THR . 4.2 m-70 -71.84 -22.01 61.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.062 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -64.15 -49.94 70.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.168 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.653 ' HB2' HG13 ' A' ' 83' ' ' VAL . 27.3 m-85 -64.23 -43.82 93.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.607 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.539 HG23 HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -61.62 -48.17 82.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.675 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.6 tp -58.53 -46.48 86.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.347 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.13 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.959 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -60.23 -44.89 94.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 4.8 t -60.85 -36.63 79.62 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.8 m -79.48 -36.85 38.05 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 120.94 0.4 . . . . 0.0 110.734 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.429 ' C ' ' H ' ' A' ' 73' ' ' LYS . . . -63.69 -50.45 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.509 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 1.1 mp0 -78.97 25.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.326 0.584 . . . . 0.0 110.746 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 69' ' ' SER . 19.6 tttp -127.05 -53.28 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.577 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.3 mt -87.61 -20.23 26.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.869 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' HB2' ' HZ ' ' A' ' 46' ' ' PHE . . . -123.42 -36.26 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.509 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER 69.98 75.42 0.22 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.535 0.522 . . . . 0.0 110.799 -179.545 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.3 m -95.52 -168.51 1.79 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.798 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.66 125.0 48.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.469 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.92 73.58 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.664 0.745 . . . . 0.0 111.641 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.587 HD13 ' HB ' ' A' ' 99' ' ' THR . 18.0 mt -85.3 -4.22 59.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.469 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.9 mt -140.1 135.15 32.26 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.469 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 85' ' ' ASP . 23.5 mt-10 -95.83 144.35 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.653 HG13 ' HB2' ' A' ' 64' ' ' PHE . 89.1 t -61.08 -49.58 84.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.077 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.03 -42.47 97.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.541 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.561 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 2.5 t70 -59.58 -51.31 70.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.023 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 74.6 mtp -60.83 -40.84 94.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.035 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.65 -39.84 69.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.906 0.384 . . . . 0.0 110.506 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -65.51 -48.58 72.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.85 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.4 mt -79.01 -23.69 44.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.675 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.06 -54.63 0.69 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.409 0.683 . . . . 0.0 112.091 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.09 112.98 64.03 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -77.22 -176.96 3.48 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.512 2.142 . . . . 0.0 111.741 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.508 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 28.5 t0 -104.26 127.42 51.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.688 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.4 t -56.58 -29.14 61.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.544 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -64.41 -35.81 82.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 4.0 m -77.78 -38.99 45.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.95 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.525 ' O ' HG12 ' A' ' 101' ' ' ILE . 23.8 t -62.55 -41.52 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -55.93 -43.53 77.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.055 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.587 ' HB ' HD13 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -62.96 -44.17 96.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.67 -179.733 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -63.37 -41.95 98.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.575 0.226 . . . . 0.0 111.345 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' ' 97' ' ' VAL . 46.4 mm -64.77 -38.14 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.033 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.438 ' HG2' ' N ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -63.7 -43.0 97.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.521 179.43 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.438 ' N ' ' HG2' ' A' ' 102' ' ' GLN . 55.6 mm-40 -64.93 -44.78 88.37 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.09 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 47.5 tp -62.81 -43.88 97.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.693 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.441 ' HA ' HD12 ' A' ' 108' ' ' LEU . 64.9 t80 -56.46 -41.27 76.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.006 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.555 ' HA ' ' O ' ' B' ' 133' ' ' ASP . 21.9 mtt180 -58.42 -45.56 88.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.032 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.0 m -65.55 -30.8 71.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.23 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 47.8 mt -71.1 -37.65 72.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.981 0.42 . . . . 0.0 110.811 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.62 -51.6 49.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.401 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.493 HE21 ' HB3' ' A' ' 110' ' ' GLN . 0.6 OUTLIER -61.79 -36.45 81.13 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -71.49 -32.43 68.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.993 0.425 . . . . 0.0 110.221 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.79 16.18 43.03 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.446 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--N 1.332 -0.183 0 CA-C-O 121.117 0.484 . . . . 0.0 111.093 -179.688 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.558 ' HG2' HG21 ' B' ' 146' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.251 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.439 ' HA ' ' OE1' ' B' ' 83' ' ' GLU . 6.5 mm-40 -62.42 -27.38 69.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.876 0.37 . . . . 0.0 111.364 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . 0.476 ' H ' ' CD ' ' B' ' 84' ' ' GLU . 25.2 mp0 -65.95 -42.29 90.15 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 28.7 mt -67.4 -40.76 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.41 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -63.23 -39.95 96.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.973 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.433 ' O ' HG23 ' B' ' 91' ' ' VAL . 1.2 mm-40 -64.54 -44.56 90.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.703 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.51 -42.48 87.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.021 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -67.77 -35.68 79.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.092 0.472 . . . . 0.0 110.553 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -22.08 66.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.438 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 87' ' ' GLU . 83.4 t -65.3 -33.84 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.41 0.624 . . . . 0.0 109.497 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -85.58 -39.07 17.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.34 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -80.3 84.99 5.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -90.31 28.29 1.48 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.161 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.78 -37.21 2.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.93 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.59 42.96 5.31 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.909 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.16 -12.78 11.18 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.706 -0.291 . . . . 0.0 111.527 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' GLY . . . . . 0.568 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 87.44 -1.47 85.95 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.211 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -105.11 124.85 50.23 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 28.9 pt -135.77 173.1 14.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.519 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . 0.723 ' HB2' ' HG2' ' B' ' 104' ' ' GLU . 1.4 m -81.27 151.45 28.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . 0.533 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -65.36 -40.84 94.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.393 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.38 89.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.547 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.723 ' HG2' ' HB2' ' B' ' 101' ' ' SER . 17.4 mm-40 -69.14 -40.16 78.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.23 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 4.3 tp -56.43 -47.03 79.91 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.868 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.632 ' HD3' HD11 ' B' ' 125' ' ' ILE . 37.8 mtm180 -62.46 -34.31 76.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.042 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -67.05 -35.12 79.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.877 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 104' ' ' GLU . 39.6 t -68.81 -46.59 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.433 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 49.3 mtt -57.33 -44.12 83.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.951 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.51 -36.65 68.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.238 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -64.99 -40.6 95.21 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.18 -29.47 67.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.295 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.14 22.61 12.72 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.254 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -62.39 139.43 58.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.664 0.269 . . . . 0.0 110.451 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' B' ' 115' ' ' LYS . 17.7 mtpt -79.0 -2.77 41.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.679 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.573 HD23 HG22 ' B' ' 121' ' ' VAL . 8.1 tp -61.66 124.4 20.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.17 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . 0.442 ' O ' HG23 ' B' ' 121' ' ' VAL . 7.4 p -79.34 161.38 26.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.196 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.37 -38.76 66.49 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -62.2 -44.05 97.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.86 0.362 . . . . 0.0 110.534 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.425 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 46.6 mt-10 -65.99 -40.5 91.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.241 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.573 HG22 HD23 ' B' ' 116' ' ' LEU . 62.5 t -66.05 -46.51 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.058 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.488 ' HA ' HD12 ' B' ' 125' ' ' ILE . 4.1 t70 -59.58 -39.72 85.02 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.267 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' GLU . . . . . 0.615 ' HA ' ' HD2' ' B' ' 126' ' ' ARG . 19.8 mt-10 -62.68 -33.86 75.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.863 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 55.6 mtt -70.18 -35.99 74.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.106 0.479 . . . . 0.0 110.004 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.702 HG23 HD12 ' B' ' 130' ' ' ILE . 80.1 mt -64.86 -33.67 65.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.615 ' HD2' ' HA ' ' B' ' 123' ' ' GLU . 29.9 mtt180 -76.48 -11.75 59.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.967 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -89.62 -30.15 18.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.585 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -100.42 160.15 14.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.242 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -82.51 88.52 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.388 0.614 . . . . 0.0 110.781 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.954 HG12 HG11 ' B' ' 136' ' ' VAL . 10.9 mt -121.67 -62.84 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.222 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.17 121.94 15.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.483 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 110' ' ' GLN . . . 96.41 -7.41 66.19 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.721 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' ASP . . . . . 0.555 ' O ' ' HA ' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -114.87 -79.65 0.59 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.687 0.28 . . . . 0.0 111.157 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 161.44 -135.58 4.01 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.514 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -66.63 151.21 47.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.872 0.367 . . . . 0.0 111.163 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' VAL . . . . . 0.954 HG11 HG12 ' B' ' 130' ' ' ILE . 7.1 m -126.92 159.21 37.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.72 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 137' ' ' ASN . . . . . 0.568 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 10.3 p30 -88.28 126.26 35.08 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.059 0.456 . . . . 0.0 110.379 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' TYR . . . . . 0.52 ' CZ ' ' HA2' ' B' ' 98' ' ' GLY . 8.4 p90 -69.37 -15.88 63.4 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -58.91 -40.81 85.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.375 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . 0.402 ' HG2' ' OD1' ' B' ' 137' ' ' ASN . 64.9 mm-40 -63.58 -41.42 98.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.13 0.49 . . . . 0.0 110.623 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . 0.412 ' HD2' ' HA ' ' B' ' 138' ' ' TYR . 99.8 m-85 -67.09 -38.45 85.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.099 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 138' ' ' TYR . 85.8 t -61.41 -48.0 90.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -55.79 -48.43 75.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 53.0 ttp -63.05 -39.73 95.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.689 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 60.4 mtm -63.5 -41.39 98.54 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . 0.558 HG21 ' HG2' ' B' ' 82' ' ' GLU . 1.2 p -77.79 -33.56 52.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.744 0.306 . . . . 0.0 111.509 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.51 -50.33 52.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.776 -179.696 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.607 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 p -55.12 -60.14 3.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.914 0.388 . . . . 0.0 112.017 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.596 ' HD2' ' HB2' ' B' ' 95' ' ' ASP . 74.3 tttt -59.84 -37.2 78.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.453 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -66.72 -48.99 67.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 ttp -61.11 -42.49 98.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.74 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.3 mt -63.42 -41.24 98.71 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.99 -45.9 90.23 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.168 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.43 -45.48 90.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.309 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -59.47 -48.0 83.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.275 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.4 m -61.06 -54.48 44.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.944 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -56.24 -38.75 71.52 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.138 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.45 -34.45 68.99 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 ptp -109.06 10.36 26.12 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m -120.76 -14.07 8.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.229 0.537 . . . . 0.0 110.544 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.6 ptm85 -65.88 -18.05 65.07 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.17 0.51 . . . . 0.0 110.983 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -78.71 -16.17 57.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.297 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -89.4 111.47 22.34 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 13.2 pt-20 -60.03 145.88 44.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.823 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.5 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 22.1 t-80 79.45 -15.62 0.74 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.437 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -103.52 104.7 17.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.29 0.567 . . . . 0.0 111.981 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -120.44 103.39 9.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.698 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.5 mt -83.38 100.05 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.054 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -110.68 -10.98 14.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.997 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -149.66 -178.75 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.009 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.418 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 13.2 m-85 -113.33 36.03 3.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.955 0.407 . . . . 0.0 110.192 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 p -149.7 -76.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.733 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.28 -40.64 71.27 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -8.63 55.62 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.465 ' HB2' ' HG2' ' A' ' 92' ' ' PRO . 33.7 m95 -110.33 4.53 20.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.635 0.255 . . . . 0.0 111.071 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.7 m -67.2 -26.52 66.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.06 0.457 . . . . 0.0 111.425 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.508 ' HB2' ' HG2' ' A' ' 36' ' ' MET . 15.4 p -83.47 -25.81 30.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.102 0.477 . . . . 0.0 110.143 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.36 -4.33 68.37 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.816 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.508 ' HG2' ' HB2' ' A' ' 34' ' ' SER . 81.6 mmm -68.05 -24.04 65.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.378 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.05 -31.46 62.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 42' ' ' ILE . 42.0 m-85 -67.05 -52.56 40.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 36' ' ' MET . 1.7 p -66.77 -31.53 72.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.48 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.2 87.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.466 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 tp -63.36 -43.01 98.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 38' ' ' PHE . 50.2 mm -64.71 -42.2 94.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.92 0.391 . . . . 0.0 110.322 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -64.1 -32.31 73.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.78 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -68.36 -34.75 76.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.283 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -79.91 -48.15 13.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -123.59 105.42 33.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.008 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.52 -14.07 18.1 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.613 2.209 . . . . 0.0 112.34 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -94.19 13.12 24.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.427 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.621 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -82.63 -72.49 0.44 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.131 0.491 . . . . 0.0 110.521 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -151.51 156.93 41.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.65 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -83.59 128.83 34.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.988 0.423 . . . . 0.0 110.726 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.614 ' HA ' HD12 ' A' ' 55' ' ' LEU . 60.1 t80 -81.64 -22.82 37.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.652 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.08 -23.2 63.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 0.0 111.137 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.18 7.61 43.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.215 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 52' ' ' TYR . 20.6 mt -84.77 98.18 10.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.318 0.58 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.468 ' HB3' ' HD2' ' A' ' 59' ' ' LYS . 15.2 t70 -86.0 133.98 40.01 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.481 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.533 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 49.1 Cg_exo -58.21 -21.88 54.11 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.404 2.736 . . . . 0.0 114.091 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.19 -10.85 59.67 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.95 -0.469 . . . . 0.0 110.772 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HD2' ' HB3' ' A' ' 56' ' ' ASP . 29.5 mttm -98.61 28.58 4.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.26 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 57' ' ' PRO . 45.7 mtm180 -47.29 -46.07 24.64 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -58.86 -49.17 78.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -38.56 82.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.197 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -60.08 -52.29 65.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.3 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.426 ' HB3' HG13 ' A' ' 83' ' ' VAL . 11.9 m-85 -56.96 -44.08 82.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.429 . . . . 0.0 110.516 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.506 ' OG1' HG11 ' A' ' 83' ' ' VAL . 6.5 m -63.0 -50.94 68.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.63 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.87 -42.21 84.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.688 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.2 -49.9 75.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.741 0.305 . . . . 0.0 111.439 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -70.52 -48.06 57.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.619 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.5 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 68.1 m -54.82 -42.78 72.28 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.621 HG21 ' HB1' ' A' ' 49' ' ' ALA . 48.9 m -61.17 -41.87 97.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.96 0.41 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.4 92.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.544 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.767 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 49.4 mt-10 -67.75 -50.16 58.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.972 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.5 ' HE2' ' HB3' ' A' ' 69' ' ' SER . 58.9 mttm -63.04 -22.42 66.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.4 mt -101.35 -48.91 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.93 5.46 4.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.767 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 33.7 t70 52.39 74.69 0.26 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.505 0.669 . . . . 0.0 111.492 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.86 155.01 28.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.84 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.8 123.2 19.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.29 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -77.8 67.44 3.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.24 0.543 . . . . 0.0 110.759 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.9 mt -84.77 -2.35 57.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.642 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.6 mt -135.55 141.72 45.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.253 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.615 ' HB2' ' HB2' ' A' ' 85' ' ' ASP . 19.3 mt-10 -104.2 133.47 49.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.498 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.506 HG11 ' OG1' ' A' ' 65' ' ' THR . 65.0 t -55.68 -60.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.733 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.61 -40.45 79.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.211 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.615 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 10.0 t70 -61.29 -48.82 79.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.312 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 68.0 mtp -62.91 -40.95 99.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.937 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.84 -41.65 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.741 0.305 . . . . 0.0 110.586 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -67.93 -42.07 81.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.703 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.32 -37.63 63.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.417 ' O ' ' HD3' ' A' ' 92' ' ' PRO . . . 74.53 -41.08 0.46 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.66 0.784 . . . . 0.0 111.897 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.1 t -103.56 104.74 43.64 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.08 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.465 ' HG2' ' HB2' ' A' ' 32' ' ' TRP . 13.3 Cg_exo -72.08 152.33 56.61 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.86 2.374 . . . . 0.0 110.93 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.24 137.45 37.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.949 0.404 . . . . 0.0 111.317 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 t -57.99 -36.92 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.208 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -77.63 -45.44 25.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.676 0.274 . . . . 0.0 111.596 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.5 m -57.59 -44.86 85.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.536 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.96 -44.35 92.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.77 0.319 . . . . 0.0 110.225 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.643 ' HE2' ' HB2' ' B' ' 97' ' ' ASN . 29.7 t80 -57.13 -44.16 83.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.151 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.434 HG23 HD21 ' B' ' 97' ' ' ASN . 24.6 m -61.1 -41.6 96.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.53 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -65.17 -47.25 77.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.523 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 51.5 mm -65.34 -38.09 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.739 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -53.7 -57.86 9.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.79 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -69.43 -28.45 66.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 57.4 tp -67.26 -30.89 70.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.216 0.531 . . . . 0.0 109.697 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -67.92 -34.12 76.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.8 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -29.44 70.39 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.955 0.407 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.1 m -62.9 -28.99 70.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.204 0.526 . . . . 0.0 110.254 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.5 mt -82.05 -39.19 23.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.497 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' B' ' 133' ' ' ASP . 21.3 t -66.76 -43.11 90.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.53 ' HA ' ' O ' ' B' ' 132' ' ' GLY . 33.0 tt0 -60.08 -37.17 79.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.546 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -83.4 -7.57 59.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.946 0.403 . . . . 0.0 110.743 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.97 26.92 69.81 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.224 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.168 0.508 . . . . 0.0 111.194 -179.315 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 121.153 0.501 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -56.81 -33.45 66.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.874 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.61 -35.35 79.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.094 0.473 . . . . 0.0 110.453 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.22 -41.42 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.525 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.599 ' HG3' ' HE2' ' B' ' 138' ' ' TYR . 50.9 ttt180 -62.6 -44.93 95.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.975 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.405 ' O ' HG23 ' B' ' 91' ' ' VAL . 47.7 mt-10 -64.18 -31.21 72.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.344 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.34 -37.11 86.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.994 0.426 . . . . 0.0 109.965 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -67.64 -32.64 73.47 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.411 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -69.84 -21.09 63.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.539 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 87' ' ' GLU . 53.8 t -73.75 -30.61 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.536 0.684 . . . . 0.0 109.189 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' PHE . . . . . 0.689 ' HD2' ' HG3' ' B' ' 104' ' ' GLU . 17.2 m-85 -81.98 -38.85 24.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.369 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . 0.443 ' CG ' ' H ' ' B' ' 96' ' ' GLY . 32.7 t0 -66.44 134.94 53.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 177.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.504 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 20.4 tptp -85.76 -11.99 52.17 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . 0.596 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 22.6 t70 -125.96 -35.09 2.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.092 0.472 . . . . 0.0 111.297 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' GLY . . . . . 0.443 ' H ' ' CG ' ' B' ' 93' ' ' ASP . . . 96.66 56.37 1.17 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . 0.643 ' HB2' ' HE2' ' A' ' 98' ' ' TYR . 1.8 t30 -106.36 -26.56 11.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 103.1 -0.98 47.45 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.598 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -111.45 117.68 33.71 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 14.7 pt -127.59 179.15 3.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.048 0.451 . . . . 0.0 111.487 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 74.9 p -86.06 169.15 13.43 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.064 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . 0.581 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -71.3 -30.65 66.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.97 -51.3 48.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.97 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.689 ' HG3' ' HD2' ' B' ' 92' ' ' PHE . 1.2 mp0 -59.52 -46.38 89.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.134 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 10.0 tp -55.07 -53.89 50.06 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.652 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.678 ' HD3' HD11 ' B' ' 125' ' ' ILE . 73.8 mtm180 -59.69 -37.41 78.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.787 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -64.18 -34.13 77.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.552 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.568 HG23 ' O ' ' B' ' 104' ' ' GLU . 47.2 t -68.32 -43.97 84.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 85.6 mtp -58.62 -44.55 89.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.942 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.91 -31.86 64.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 111.173 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -72.14 -24.66 61.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.616 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -75.09 -15.71 60.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.91 25.33 38.24 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.206 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -74.36 118.34 17.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.65 0.262 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -77.67 48.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.837 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 tp -94.49 144.09 25.86 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . 0.439 ' O ' HG23 ' B' ' 121' ' ' VAL . 63.1 p -74.41 149.88 40.26 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.03 -25.25 67.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.371 0.605 . . . . 0.0 110.061 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 12.6 mp0 -64.87 -46.34 82.24 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.776 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -64.8 -33.63 76.44 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 121.09 0.472 . . . . 0.0 110.321 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 117' ' ' THR . 62.1 t -63.98 -42.16 94.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.18 -41.25 92.48 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.095 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 39.3 mt-10 -62.28 -43.75 98.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.255 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.74 -39.74 95.05 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.681 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.678 HD11 ' HD3' ' B' ' 106' ' ' ARG . 97.5 mt -62.32 -35.08 67.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.041 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -77.25 -16.46 59.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.669 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -78.77 -46.17 19.43 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.53 165.87 23.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.071 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -104.72 78.53 1.45 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.064 0.459 . . . . 0.0 110.269 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.581 HG21 ' HB2' ' B' ' 102' ' ' ALA . 4.5 mt -105.96 -64.08 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.58 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.66 124.35 20.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.183 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . 0.53 ' O ' ' HA ' ' A' ' 110' ' ' GLN . . . 86.79 8.21 76.83 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.045 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' ASP . . . . . 0.48 ' O ' ' HB ' ' A' ' 109' ' ' VAL . 19.9 t70 -135.31 -68.94 0.51 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 164.1 -154.07 24.75 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.157 -1.021 . . . . 0.0 112.896 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -70.48 154.13 42.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.779 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' VAL . . . . . 0.571 HG11 HG12 ' B' ' 130' ' ' ILE . 2.7 m -120.75 167.32 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 137' ' ' ASN . . . . . 0.528 ' ND2' ' HB2' ' B' ' 139' ' ' GLU . 27.7 p-10 -99.4 141.52 32.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.72 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' TYR . . . . . 0.599 ' HE2' ' HG3' ' B' ' 86' ' ' ARG . 11.3 p90 -69.66 -21.32 63.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.669 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . 0.528 ' HB2' ' ND2' ' B' ' 137' ' ' ASN . 5.6 mm-40 -51.96 -43.14 63.41 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . 0.433 ' HG2' ' OD1' ' B' ' 137' ' ' ASN . 8.9 mm-40 -72.42 -47.33 50.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.427 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -60.77 -37.52 82.15 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.98 -48.8 86.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 143' ' ' GLN . . . . . 0.515 ' HA ' ' OG1' ' B' ' 146' ' ' THR . 10.8 mm100 -68.36 -26.4 65.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.875 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 66.2 mtp -69.38 -37.54 77.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.071 0.462 . . . . 0.0 110.282 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 16.0 ptp -84.94 -24.06 28.53 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . 0.515 ' OG1' ' HA ' ' B' ' 143' ' ' GLN . 19.0 p -79.59 -22.67 43.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.699 0.285 . . . . 0.0 111.305 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -91.15 13.46 16.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.061 0.457 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 mttm . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.764 179.76 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.628 0 N-CA-C 114.444 0.538 . . . . 0.0 114.444 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -47.66 85.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.091 0.472 . . . . 0.0 110.28 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -69.79 -31.56 69.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.748 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -64.86 -35.41 81.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.2 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.6 tpt -63.36 -46.52 86.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.559 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.5 mt -68.63 -34.09 75.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.925 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.2 -45.29 93.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.485 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.19 -40.27 86.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.118 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -60.92 -46.49 90.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.621 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 t -67.67 -46.67 71.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.093 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.666 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 23.6 ttm180 -67.42 -8.78 35.84 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.67 -19.26 22.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.1 mtm -105.06 -54.5 2.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.431 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.74 ' HB ' HD11 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -69.35 -3.52 14.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.019 -178.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.666 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 43.1 ttm-85 -70.72 -24.4 62.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 110.093 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.29 -8.11 58.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.255 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -92.45 134.92 34.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.934 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -83.34 150.91 25.82 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.594 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 68.7 20.58 8.14 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.952 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -128.28 95.19 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 111.526 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' A' ' 31' ' ' SER . 5.4 p-10 -103.31 109.81 21.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.117 0.484 . . . . 0.0 110.168 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.74 HD11 ' HB ' ' A' ' 17' ' ' THR . 19.4 mt -87.16 84.92 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.11 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -80.17 -57.68 3.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.635 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -135.06 -166.88 1.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.717 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -99.66 16.56 23.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.655 0.264 . . . . 0.0 111.575 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.415 ' HB3' ' CG1' ' A' ' 91' ' ' VAL . 70.6 m -133.72 -70.77 0.52 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.17 -44.59 71.63 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.473 ' HB3' ' O ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -68.43 -18.58 64.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -178.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -100.24 1.33 41.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.932 0.396 . . . . 0.0 111.238 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 t -72.33 -21.69 61.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 p -79.14 -21.67 46.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.342 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.4 -29.22 4.04 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.455 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.1 mmt -56.54 -33.52 66.16 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.53 75.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.769 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -69.98 -47.23 63.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.918 0.389 . . . . 0.0 110.428 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.0 m -59.88 -44.76 94.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.434 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.51 96.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.5 tp -63.3 -50.58 69.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.932 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.9 mm -63.02 -38.21 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.035 0.445 . . . . 0.0 110.404 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.27 -25.63 67.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.185 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -71.16 -33.44 70.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.003 0.43 . . . . 0.0 110.165 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -84.24 -44.21 14.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.35 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -122.04 105.11 37.7 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.21 -11.64 29.07 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.756 2.304 . . . . 0.0 112.17 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -103.4 10.33 37.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.55 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.445 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -64.39 -60.17 3.49 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.928 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -167.17 154.59 8.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.88 93.82 2.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.235 0.541 . . . . 0.0 110.568 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -62.63 -35.35 79.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.558 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.47 -11.23 59.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.853 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -106.93 7.33 29.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.107 0.48 . . . . 0.0 111.035 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -87.51 153.06 21.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -129.93 142.79 46.6 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.435 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -63.2 -21.16 72.17 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.872 2.381 . . . . 0.0 111.447 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.52 -13.15 60.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.471 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -107.37 38.67 2.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.175 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -52.89 -39.78 62.97 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 61' ' ' ARG . 36.1 ttm180 -63.58 -45.22 91.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.932 0.396 . . . . 0.0 110.457 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -70.82 -31.19 67.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.39 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.89 -54.61 44.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.035 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HB2' HG13 ' A' ' 83' ' ' VAL . 30.3 m-85 -61.97 -46.27 89.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.651 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.7 m -58.03 -49.67 76.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.66 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.2 tp -61.99 -43.55 98.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.244 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.38 -51.65 64.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.518 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -63.88 -42.25 97.53 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.0 p -63.78 -44.78 92.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.663 0.268 . . . . 0.0 111.485 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.445 HG21 ' HB1' ' A' ' 49' ' ' ALA . 12.6 m -66.53 -42.67 86.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.361 . . . . 0.0 110.737 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.445 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -62.46 -35.78 80.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.487 ' HA ' ' H ' ' A' ' 77' ' ' CYS . 18.4 tt0 -79.04 -32.96 45.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.373 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -75.69 -35.61 60.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 99.2 mt -97.33 -48.33 5.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.43 -10.07 20.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.61 61.45 1.97 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.015 0.436 . . . . 0.0 110.526 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.487 ' H ' ' HA ' ' A' ' 72' ' ' GLU . 31.5 m -83.1 153.3 24.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.109 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.45 136.46 46.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.667 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -77.72 64.23 2.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.054 0.454 . . . . 0.0 110.938 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.5 mt -82.94 -21.46 34.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.647 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.473 ' HB3' ' SD ' ' A' ' 86' ' ' MET . 85.7 mt -118.37 139.67 51.01 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.897 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -114.17 131.39 56.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.422 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.559 HG13 ' HB2' ' A' ' 64' ' ' PHE . 44.1 t -54.75 -54.99 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.099 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.66 -39.45 70.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -75.15 -41.42 58.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.473 ' SD ' ' HB3' ' A' ' 81' ' ' LEU . 88.8 mtp -63.7 -40.43 96.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.698 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.39 -35.15 61.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.1 0.476 . . . . 0.0 110.149 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -68.12 -52.11 38.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.695 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.1 mt -70.34 -25.58 63.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.38 -58.74 0.58 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.582 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 22.7 t -97.61 112.6 61.79 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.884 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 6.6 Cg_exo -74.49 144.3 32.07 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.841 2.361 . . . . 0.0 112.122 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 95' ' ' LYS . 8.6 t70 -69.08 130.38 42.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.227 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -35.5 71.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.428 ' HB3' ' OD2' ' A' ' 93' ' ' ASP . 45.0 tttp -66.74 -42.96 85.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.964 0.411 . . . . 0.0 110.901 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 43.8 m -63.02 -39.08 93.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.458 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' ILE . 79.7 t -65.14 -43.12 95.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.367 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -58.87 -51.94 67.86 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.527 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.3 m -60.91 -36.65 79.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 111.279 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -62.46 -47.19 85.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.659 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 97' ' ' VAL . 38.3 mm -75.11 -28.92 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.422 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -53.3 -61.4 2.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.62 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.459 ' OE2' ' HD2' ' A' ' 106' ' ' ARG . 0.3 OUTLIER -72.42 -28.64 63.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.353 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.504 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 49.2 tp -63.98 -46.92 82.48 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.552 ' O ' HG23 ' A' ' 109' ' ' VAL . 83.4 t80 -58.4 -44.98 89.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.315 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.778 HH12 ' HE2' ' B' ' 99' ' ' TYR . 0.7 OUTLIER -60.46 -33.53 72.7 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.189 0.519 . . . . 0.0 111.077 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.4 m -76.21 -28.96 57.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.467 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 39.6 mt -76.48 -32.14 58.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 105' ' ' TYR . 61.9 t -68.27 -48.79 71.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.421 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -70.96 -5.3 29.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.608 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -100.69 -2.81 31.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.811 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.51 17.51 76.38 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.298 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.1 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 120.649 0.261 . . . . 0.0 111.077 -179.473 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.489 ' OE2' ' HD2' ' B' ' 86' ' ' ARG . 15.3 tt0 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 121.108 0.48 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -57.84 -41.45 82.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.119 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -60.09 -40.78 90.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.622 0.248 . . . . 0.0 111.549 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 88.7 mt -66.38 -44.36 90.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.489 ' HD2' ' OE2' ' B' ' 82' ' ' GLU . 14.9 mtp180 -64.88 -35.28 80.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.339 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.98 -41.72 99.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.011 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.6 94.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.379 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -66.44 -34.8 78.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.484 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -65.31 -22.42 66.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.268 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 60.0 t -69.62 -38.03 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.423 . . . . 0.0 109.866 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -70.52 -30.52 67.31 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.157 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -72.97 125.39 27.49 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' B' ' 94' ' ' LYS . 0.6 OUTLIER -89.03 16.41 7.11 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.531 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -151.66 -51.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.429 . . . . 0.0 111.66 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.15 58.9 0.26 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -113.27 -27.93 7.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.936 0.398 . . . . 0.0 110.245 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.33 18.71 52.26 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' TYR . . . . . 0.778 ' HE2' HH12 ' A' ' 106' ' ' ARG . 2.3 m-85 -113.89 123.23 49.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.373 . . . . 0.0 110.173 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.2 pt -138.47 159.34 31.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.325 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.4 178.48 5.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.785 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.56 71.22 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.53 0.566 . . . . 0.0 112.53 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.55 -54.45 35.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.802 0.334 . . . . 0.0 111.281 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.576 ' O ' HG23 ' B' ' 108' ' ' VAL . 1.8 mp0 -64.31 -48.23 76.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.648 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.34 -51.03 63.75 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.704 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.47 ' HG3' HG11 ' B' ' 121' ' ' VAL . 18.5 ttt180 -60.36 -36.38 77.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.991 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -69.3 -30.26 68.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.49 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 104' ' ' GLU . 44.8 t -66.68 -42.64 89.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.963 0.411 . . . . 0.0 110.121 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 80.9 mtp -58.61 -48.57 80.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.276 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -28.47 63.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.331 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -70.34 -40.08 74.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.67 -26.11 67.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.201 0.524 . . . . 0.0 110.546 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.98 13.29 27.63 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.108 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -67.66 117.41 9.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.019 0.438 . . . . 0.0 110.026 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -80.54 65.57 5.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.678 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 tp -107.79 124.85 50.66 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.41 146.21 49.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.129 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.81 -35.86 64.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.42 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -60.66 -39.9 90.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.447 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -70.24 -43.31 70.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.445 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.47 HG11 ' HG3' ' B' ' 106' ' ' ARG . 46.6 t -60.24 -50.96 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.476 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.86 -37.76 85.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.183 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.52 -42.92 98.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.054 0.454 . . . . 0.0 110.279 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -43.44 92.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.632 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.51 HG23 HD12 ' B' ' 130' ' ' ILE . 98.8 mt -64.39 -30.09 49.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.272 179.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -68.61 -26.3 65.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.513 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.4 -30.46 57.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.61 157.26 19.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.886 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -104.49 95.52 5.98 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.558 0.694 . . . . 0.0 111.598 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.51 HD12 HG23 ' B' ' 125' ' ' ILE . 50.3 mt -117.18 -57.83 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -67.29 102.84 1.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 111.512 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 120.48 -3.96 12.19 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.402 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -126.68 -73.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 167.13 -163.08 36.84 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.175 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -64.01 156.31 28.43 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.852 0.358 . . . . 0.0 111.225 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 16.6 m -125.91 169.61 17.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.878 0.37 . . . . 0.0 111.257 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -101.33 140.34 35.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.286 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' TYR . . . . . 0.411 ' HE2' ' HG2' ' B' ' 86' ' ' ARG . 51.6 p90 -65.79 -23.18 66.65 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' B' ' 143' ' ' GLN . 4.3 tt0 -60.78 -34.78 75.01 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -58.93 -38.4 78.89 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.188 0.518 . . . . 0.0 110.441 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -71.14 -35.55 71.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.314 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.94 -42.13 93.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.879 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 143' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' B' ' 139' ' ' GLU . 72.5 mt-30 -61.05 -40.33 93.21 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.24 0.543 . . . . 0.0 110.141 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 3.0 ttm -68.05 -42.48 80.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 67.3 mtm -64.35 -30.4 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.874 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.1 p -85.09 -19.03 32.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.8 0.333 . . . . 0.0 111.436 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -90.5 -15.89 29.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.591 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.669 -0.681 . . . . 0.0 109.937 179.768 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.821 0 N-CA-C 112.896 -0.082 . . . . 0.0 112.896 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -63.29 -23.96 67.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.371 0.605 . . . . 0.0 110.48 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.426 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 87.4 tttt -61.36 -32.5 72.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.686 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -69.49 -27.8 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.9 tpt -65.6 -50.86 63.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.601 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.91 -36.49 82.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.258 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.56 -46.78 88.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.536 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -66.15 -40.21 90.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.531 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -65.1 -47.89 75.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.8 -43.83 87.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.584 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -62.51 -35.16 78.51 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.017 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.34 -34.94 78.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.603 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.509 ' SD ' ' HE2' ' A' ' 44' ' ' LYS . 25.6 mmt -73.3 -39.83 65.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.381 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.439 ' HA ' ' HD2' ' A' ' 20' ' ' TYR . 4.7 p -77.9 -7.79 57.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -66.46 -25.66 66.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.842 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -87.7 11.56 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.172 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.439 ' HD2' ' HA ' ' A' ' 17' ' ' THR . 56.5 m-85 -119.94 157.79 28.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.091 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -111.58 153.22 26.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 67.84 7.18 5.56 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.579 0.549 . . . . 0.0 111.83 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.9 t -131.68 114.09 24.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.071 0.462 . . . . 0.0 111.141 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -138.08 106.22 5.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.455 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.4 mt -74.47 95.68 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.371 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -91.34 -44.62 9.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.039 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -124.51 144.62 50.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.404 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.98 34.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 0.0 111.907 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.9 m -153.38 -67.29 0.15 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.807 0.337 . . . . 0.0 110.836 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -38.69 92.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 m -73.95 -3.6 30.06 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -109.33 -0.29 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.615 0.245 . . . . 0.0 111.289 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -69.71 -10.95 60.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.896 0.379 . . . . 0.0 111.961 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 p -87.24 -24.25 24.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.072 0.463 . . . . 0.0 111.03 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.39 -30.85 3.0 Favored Glycine 0 C--O 1.229 -0.194 0 CA-C-N 116.098 -0.501 . . . . 0.0 113.249 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.9 mmm -57.68 -26.38 61.61 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.78 -39.31 80.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.768 0.318 . . . . 0.0 111.718 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.403 ' O ' HG12 ' A' ' 42' ' ' ILE . 75.8 m-85 -65.19 -48.2 74.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.014 0.435 . . . . 0.0 110.181 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -39.77 93.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.298 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.36 92.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.35 -44.29 88.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.233 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 38' ' ' PHE . 50.7 mm -64.52 -43.95 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.066 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -64.58 -27.78 69.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.364 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.509 ' HE2' ' SD ' ' A' ' 16' ' ' MET . 49.6 tptt -63.19 -39.89 95.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.124 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -95.66 -35.74 11.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -114.19 96.57 42.82 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.802 0.334 . . . . 0.0 111.45 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -72.8 -16.74 26.21 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.903 2.402 . . . . 0.0 111.292 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.67 -10.06 47.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.806 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.406 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -59.03 -67.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.01 0.433 . . . . 0.0 111.315 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -167.08 158.75 12.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.701 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 25.5 t0 -86.58 126.24 34.35 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.924 0.392 . . . . 0.0 110.209 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -71.87 -23.34 61.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.292 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.16 -25.03 51.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.801 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -82.95 -25.12 32.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.334 0.588 . . . . 0.0 110.45 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 51' ' ' ASP . 94.5 mt -69.7 141.25 53.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 1.8 p-10 -131.2 138.2 32.34 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.772 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 56' ' ' ASP . 51.1 Cg_exo -55.49 -28.64 65.35 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.687 2.925 . . . . 0.0 114.647 -178.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HB3' ' OD2' ' A' ' 56' ' ' ASP . . . -65.33 -36.49 84.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.029 0.442 . . . . 0.0 111.004 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -86.92 32.99 0.66 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.776 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -51.33 -30.52 18.69 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -62.32 -60.28 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.0 110.404 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -67.68 -30.03 69.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.387 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -60.02 -48.91 79.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.088 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.49 -41.2 93.8 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.927 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 m -63.51 -46.58 85.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.645 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.7 tp -61.75 -41.92 98.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.639 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.61 73.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.236 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -67.36 -45.4 76.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.2 p -61.16 -47.69 85.01 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.406 HG21 ' HB1' ' A' ' 49' ' ' ALA . 7.4 m -63.66 -39.12 93.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.674 0.274 . . . . 0.0 111.322 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.88 -31.34 72.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.418 0.628 . . . . 0.0 109.841 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -74.82 -37.67 62.24 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.269 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -74.6 -42.55 58.48 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.6 mt -93.34 7.3 44.98 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.28 -30.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 66.24 88.0 0.11 Allowed 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 10.5 m -106.57 -159.42 0.7 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.427 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -113.22 117.55 32.2 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -76.81 71.95 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.08 0.467 . . . . 0.0 111.188 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.5 mt -74.46 -42.54 58.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.295 0.569 . . . . 0.0 110.127 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.9 mt -98.43 156.63 16.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.87 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -122.86 146.75 47.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.295 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.6 t -56.62 -59.34 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.447 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -56.61 -49.16 75.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.421 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -56.62 -50.82 70.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.844 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.5 mtp -63.78 -37.55 87.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.963 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.24 -38.25 79.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.903 0.383 . . . . 0.0 110.674 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -72.09 -43.46 64.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.753 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.6 mt -78.91 -34.59 44.56 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.59 -53.17 0.7 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.471 0.708 . . . . 0.0 111.827 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.1 t -101.62 112.04 64.69 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.278 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.47 174.8 8.64 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.784 2.323 . . . . 0.0 111.71 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.586 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 15.2 t70 -85.35 149.3 25.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.796 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.2 m -63.28 -41.69 99.02 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.542 ' HB3' ' HB3' ' B' ' 95' ' ' ASP . 54.6 pttt -85.81 -23.06 27.34 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.586 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 91.2 m -63.85 -41.06 97.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 101' ' ' ILE . 40.9 t -76.32 -37.34 31.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.512 ' HB3' ' HA ' ' A' ' 95' ' ' LYS . 49.6 t80 -55.03 -47.7 74.39 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.899 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.659 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 8.2 m -61.32 -47.82 84.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.355 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -55.95 -41.28 74.45 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.075 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 97' ' ' VAL . 49.0 mm -65.92 -40.02 86.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.036 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -45.45 83.97 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.988 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 99' ' ' THR . 15.5 mm-40 -62.54 -38.77 91.29 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.274 0.559 . . . . 0.0 110.021 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 53.5 tp -68.5 -41.67 79.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.166 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.429 ' O ' HG23 ' A' ' 109' ' ' VAL . 71.0 t80 -57.47 -45.23 85.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.371 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.487 ' HD3' ' CG ' ' B' ' 133' ' ' ASP . 27.5 ttp180 -56.09 -45.72 79.3 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.214 0.53 . . . . 0.0 110.463 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.6 m -61.34 -39.85 92.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 61.9 mt -68.15 -35.12 77.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.037 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 105' ' ' TYR . 83.4 t -70.52 -48.12 61.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.478 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -67.63 -20.11 65.29 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -87.02 -12.66 46.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.313 0.577 . . . . 0.0 110.243 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.75 15.18 73.76 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.792 -0.64 . . . . 0.0 113.041 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 98.4 mt . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 121.008 0.432 . . . . 0.0 110.933 -179.62 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 121.129 0.49 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -62.17 -30.5 71.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.439 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -55.14 -50.91 68.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.035 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 33.3 mt -64.52 -40.79 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.592 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -62.36 -44.6 96.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.614 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.474 ' O ' HG23 ' B' ' 91' ' ' VAL . 7.3 tp10 -68.25 -39.6 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.724 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.18 -47.12 84.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.289 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -69.49 -30.34 68.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -63.28 -30.09 71.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.504 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 87' ' ' GLU . 19.2 t -68.14 -27.62 37.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.989 0.423 . . . . 0.0 110.776 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -72.29 -41.93 66.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -66.32 155.37 37.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.21 -2.79 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . 0.542 ' HB3' ' HB3' ' A' ' 95' ' ' LYS . 1.1 m-20 -143.82 -17.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.84 64.63 1.14 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -123.16 -34.77 3.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' GLY . . . . . 0.567 ' HA2' ' HE1' ' B' ' 138' ' ' TYR . . . 95.41 12.59 53.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.927 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' TYR . . . . . 0.517 ' HB3' ' HG2' ' B' ' 135' ' ' GLN . 4.4 m-30 -95.43 107.92 20.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.431 0.158 . . . . 0.0 111.0 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.693 HG12 ' HB3' ' B' ' 138' ' ' TYR . 1.8 pp -119.51 142.32 35.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.589 0.233 . . . . 0.0 110.833 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.03 144.57 38.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.773 0.321 . . . . 0.0 111.132 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.1 82.01 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.69 -37.94 77.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.147 0.498 . . . . 0.0 110.692 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.608 ' O ' HG23 ' B' ' 108' ' ' VAL . 2.5 mp0 -80.44 -41.18 24.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.182 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 24.3 tp -54.5 -44.48 72.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.395 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.828 ' HG3' HG11 ' B' ' 121' ' ' VAL . 12.7 ttt180 -64.13 -29.38 70.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.03 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' HIS . . . . . 0.493 ' O ' ' HB2' ' B' ' 111' ' ' ASN . 3.4 t-80 -85.65 -23.37 27.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.318 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 104' ' ' GLU . 85.8 t -66.48 -48.55 80.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.744 0.307 . . . . 0.0 110.503 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' MET . . . . . 0.499 ' O ' ' HB2' ' B' ' 114' ' ' GLU . 83.7 mtp -58.54 -42.23 87.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.317 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.64 -32.1 67.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.088 0.471 . . . . 0.0 110.85 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' B' ' 107' ' ' HIS . 1.0 OUTLIER -73.14 -29.09 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.041 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' ' 108' ' ' VAL . 82.0 mt -71.87 -9.42 58.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.432 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.5 27.29 18.04 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.175 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' B' ' 109' ' ' MET . 2.9 mm-40 -83.54 164.5 19.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.703 0.287 . . . . 0.0 110.418 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -126.58 28.99 5.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.205 0.526 . . . . 0.0 111.314 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' B' ' 120' ' ' GLU . 14.1 tp -70.63 132.01 44.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.377 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.18 152.43 40.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.706 0.288 . . . . 0.0 111.246 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -59.06 -40.79 86.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.156 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -60.85 -36.63 79.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.722 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.421 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 47.7 mm-40 -61.39 -40.51 94.62 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.932 0.396 . . . . 0.0 110.181 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.828 HG11 ' HG3' ' B' ' 106' ' ' ARG . 19.8 t -62.59 -44.05 99.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.347 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -40.14 96.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -60.08 -45.99 91.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.056 0.455 . . . . 0.0 109.908 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 63.3 mtt -66.26 -34.46 78.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.459 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.765 HG23 HD12 ' B' ' 130' ' ' ILE . 34.9 mt -65.5 -38.52 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.142 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -71.88 -22.76 61.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.437 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -88.87 -9.35 51.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.259 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -113.36 161.16 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.291 0.567 . . . . 0.0 112.244 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -85.68 89.68 7.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.266 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.765 HD12 HG23 ' B' ' 125' ' ' ILE . 40.3 mt -115.16 -65.84 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.259 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -66.46 131.78 46.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.78 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.25 -21.04 46.19 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.777 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' ASP . . . . . 0.487 ' CG ' ' HD3' ' A' ' 106' ' ' ARG . 2.1 t0 -104.98 -65.23 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.153 0.502 . . . . 0.0 110.309 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 134.95 -66.02 0.57 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.973 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . 0.517 ' HG2' ' HB3' ' B' ' 99' ' ' TYR . 0.1 OUTLIER -106.53 155.9 19.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.837 0.351 . . . . 0.0 110.833 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 1.3 t -117.03 151.42 18.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -86.24 108.78 18.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.305 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' TYR . . . . . 0.693 ' HB3' HG12 ' B' ' 100' ' ' ILE . 24.8 p90 -60.48 -27.73 67.79 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.63 -39.73 68.26 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.817 0.342 . . . . 0.0 111.751 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -63.78 -26.8 68.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.08 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -92.26 -42.24 9.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.422 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 93.8 t -59.8 -47.99 89.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.084 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -68.51 -32.66 72.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.252 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 40.7 ttm -68.73 -47.94 65.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.776 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 63.4 mtm -61.4 -36.54 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.769 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 3.6 p -82.01 1.8 33.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -110.53 3.51 19.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.382 0.61 . . . . 0.0 109.566 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.422 -179.78 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 111.739 -0.544 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 p -62.25 -41.53 98.52 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -63.62 -36.2 83.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.655 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -67.07 -35.73 80.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -60.69 -49.81 76.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.014 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.0 mt -66.04 -35.76 81.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.0 tp -65.17 -43.35 92.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.62 -42.58 99.09 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.665 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -61.63 -46.84 88.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.8 m -69.64 -39.55 77.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -54.98 -38.62 68.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.345 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.8 95.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.918 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.8 ptp -83.9 -18.34 37.73 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.48 HG21 ' H ' ' A' ' 25' ' ' ILE . 41.8 m -64.82 -30.93 71.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.324 0.583 . . . . 0.0 110.036 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -67.91 -15.05 63.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.738 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -88.11 -1.52 58.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 110.559 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -117.46 151.61 36.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -110.61 148.28 32.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.75 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.6 t60 69.73 14.23 8.11 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.689 0.618 . . . . 0.0 111.259 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -130.07 115.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.778 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -128.88 93.77 3.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.003 0.43 . . . . 0.0 110.594 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.552 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 67.4 mt -84.48 100.36 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.079 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -105.02 -15.91 14.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.488 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -161.97 165.34 27.59 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.547 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 88.3 m-85 -90.21 57.1 3.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.922 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 p -158.32 -84.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.48 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -57.54 -41.62 81.29 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.552 ' CB ' ' HA ' ' A' ' 25' ' ' ILE . 10.0 m -69.63 -8.08 44.44 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.431 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 70.1 m95 -110.29 -5.42 15.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.794 0.331 . . . . 0.0 111.358 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.6 m -67.15 -18.77 65.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.1 -16.04 58.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.032 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.1 -47.04 2.81 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.236 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.3 mmm -48.54 -33.18 9.16 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.19 -34.69 64.1 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.45 ' O ' HG12 ' A' ' 42' ' ' ILE . 67.4 m-85 -64.19 -52.8 57.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.978 0.418 . . . . 0.0 110.77 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.7 m -66.87 -31.79 72.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.766 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.54 97.85 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 110.376 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 tp -68.15 -42.43 80.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.779 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 38' ' ' PHE . 51.8 mm -61.55 -46.0 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.004 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -68.03 -19.96 64.95 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -68.71 -34.65 76.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.37 . . . . 0.0 110.094 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -98.0 -35.29 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.476 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -114.39 100.41 52.87 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.849 0.357 . . . . 0.0 111.466 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.9 -39.15 3.47 Favored 'Trans proline' 0 CA--C 1.528 0.178 0 C-N-CA 123.039 2.493 . . . . 0.0 111.947 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -81.85 15.87 2.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.156 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.731 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -81.69 -58.67 2.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.853 0.358 . . . . 0.0 111.371 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -169.77 169.61 8.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.783 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -95.67 116.37 28.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -72.34 -27.34 62.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.119 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.71 -17.05 62.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.09 0.471 . . . . 0.0 110.447 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -95.81 10.89 35.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.806 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.0 mt -105.86 132.82 51.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.191 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -108.05 150.07 39.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.07 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.89 -17.58 56.02 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.543 2.162 . . . . 0.0 110.99 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.07 -8.46 59.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.019 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -105.19 38.39 1.96 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.038 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -56.79 -43.85 81.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.097 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -58.9 -48.54 81.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.011 0.434 . . . . 0.0 110.097 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -38.62 91.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.372 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -56.59 -48.67 76.9 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.799 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -61.81 -43.44 98.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.486 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -64.7 -46.74 81.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.004 0.43 . . . . 0.0 110.136 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.51 -49.32 78.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.56 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.39 -53.48 56.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.902 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -62.79 -52.11 64.48 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.0 m -59.3 -47.55 84.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.731 HG21 ' HB1' ' A' ' 49' ' ' ALA . 14.6 m -63.38 -40.6 97.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.748 0.308 . . . . 0.0 111.098 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.42 -39.06 88.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 110.581 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 4.0 tt0 -71.39 -33.16 69.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.175 0.512 . . . . 0.0 110.898 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -75.92 -31.07 58.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.937 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.6 mt -99.35 -52.1 3.6 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.03 0.5 25.68 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 5.5 p-10 41.63 54.72 3.7 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 7.7 p -79.68 163.31 24.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.58 139.4 35.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.344 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -80.43 86.06 5.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.686 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.2 mt -79.55 -14.8 58.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.664 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.1 mt -132.62 159.5 39.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.652 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.591 ' HB2' ' HB3' ' A' ' 85' ' ' ASP . 57.4 mt-10 -115.38 153.67 30.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.644 0.259 . . . . 0.0 111.069 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.71 -57.36 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.547 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.8 -36.75 74.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.702 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 1.1 t70 -63.04 -53.18 57.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.042 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.414 ' CE ' ' HA ' ' A' ' 86' ' ' MET . 19.0 mmt -61.3 -40.92 95.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.632 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.97 -38.69 83.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.824 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.3 ttp-105 -77.04 -52.07 9.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.041 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -42.95 86.45 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.45 ' O ' ' HD3' ' A' ' 92' ' ' PRO . . . 72.83 -46.25 0.64 Allowed 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.74 104.29 30.29 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 90' ' ' ALA . 7.8 Cg_exo -74.12 147.97 38.89 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.811 2.341 . . . . 0.0 112.318 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.578 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 18.5 t0 -73.77 137.24 43.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.615 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.3 t -60.19 -30.59 69.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.421 ' HG3' ' OD2' ' B' ' 95' ' ' ASP . 28.6 tttp -72.63 -40.85 66.1 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.132 0.491 . . . . 0.0 110.916 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.578 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 55.8 m -65.51 -45.91 81.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.187 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' A' ' 28' ' ' PHE . 21.3 t -68.68 -41.63 82.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.493 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -56.45 -52.4 64.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.89 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.8 m -62.02 -35.78 79.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.441 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.26 -45.84 89.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.864 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.3 mm -73.98 -31.51 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.146 0.498 . . . . 0.0 109.999 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -55.93 -55.14 36.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.001 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.83 -38.99 73.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.398 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.32 -41.44 89.11 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.662 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.524 ' O ' HG23 ' A' ' 109' ' ' VAL . 83.5 t80 -60.4 -40.32 90.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.245 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.569 ' HG2' ' H ' ' B' ' 135' ' ' GLN . 82.7 mtp180 -61.01 -46.88 88.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 m -59.7 -33.35 71.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.081 0.467 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.2 mt -75.79 -25.34 56.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.685 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 105' ' ' TYR . 92.2 t -74.48 -46.21 43.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.593 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.403 ' H ' ' HG2' ' A' ' 110' ' ' GLN . 1.3 pt20 -63.91 -30.35 71.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.974 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -82.98 -13.18 56.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.778 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 73.09 38.56 54.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.946 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.843 0.354 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.29 -30.99 61.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.856 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -59.26 -32.97 70.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.98 -42.56 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.067 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.439 ' HG3' ' CE2' ' B' ' 138' ' ' TYR . 54.3 ttt180 -65.33 -39.36 92.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.041 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.499 ' O ' HG23 ' B' ' 91' ' ' VAL . 38.9 mt-10 -67.07 -32.86 74.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.812 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.48 96.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.984 0.421 . . . . 0.0 109.933 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -71.63 -33.34 68.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.804 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -60.47 -33.24 72.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.554 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 87' ' ' GLU . 89.8 t -62.87 -37.5 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.041 0.448 . . . . 0.0 110.829 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -72.03 -37.37 69.76 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.568 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -67.42 137.07 55.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' B' ' 94' ' ' LYS . 44.8 mmtm -113.31 7.6 17.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . 0.421 ' OD2' ' HG3' ' A' ' 95' ' ' LYS . 9.6 t70 -132.43 -25.08 1.98 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.155 0.502 . . . . 0.0 111.002 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.24 43.05 5.71 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.771 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . 0.704 ' HB3' ' HD2' ' B' ' 99' ' ' TYR . 4.3 m-20 -102.92 -36.37 8.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.094 0.473 . . . . 0.0 110.914 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 95.82 13.63 49.47 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.153 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' TYR . . . . . 0.704 ' HD2' ' HB3' ' B' ' 97' ' ' ASN . 58.7 m-85 -117.41 123.69 47.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.0 pt -139.82 179.73 2.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.4 p -98.93 171.59 7.96 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.661 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . 0.652 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -65.72 -23.9 66.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.42 -50.8 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.237 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.577 ' O ' HG23 ' B' ' 108' ' ' VAL . 6.3 mp0 -67.76 -39.15 84.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.702 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 44.0 tp -54.05 -52.56 60.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.427 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -68.09 -31.15 70.57 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -65.5 -34.94 79.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 104' ' ' GLU . 58.9 t -71.02 -43.33 76.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 9.1 mtt -58.86 -45.8 89.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.491 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 2.0 p -74.31 -9.97 59.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.709 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -98.39 -12.29 21.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.14 0.495 . . . . 0.0 110.602 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 108' ' ' VAL . 86.2 mt -92.9 4.69 53.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.136 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.23 32.26 79.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.103 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -72.46 142.52 48.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.589 0.233 . . . . 0.0 110.667 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -96.38 18.26 14.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.284 0.564 . . . . 0.0 110.326 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.611 HD23 HG22 ' B' ' 121' ' ' VAL . 10.3 tp -77.28 120.27 22.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.219 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 121' ' ' VAL . 55.3 p -69.28 154.41 42.08 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.58 -34.99 65.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.557 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.542 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 1.6 mp0 -60.0 -45.97 91.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.093 178.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.443 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 38.6 mt-10 -63.88 -39.33 93.94 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.032 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.611 HG22 HD23 ' B' ' 116' ' ' LEU . 46.5 t -63.42 -42.92 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.446 179.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -59.82 -40.37 88.18 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.904 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 32.2 mt-10 -60.79 -48.04 83.61 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.903 178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 40.8 mtt -60.12 -43.49 95.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.862 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.626 HG23 HD12 ' B' ' 130' ' ' ILE . 90.0 mt -65.39 -34.94 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.427 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 26.0 ttm-85 -70.48 -25.0 62.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.341 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' B' ' 123' ' ' GLU . 36.3 mt-10 -80.74 -9.19 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.072 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -118.64 153.84 33.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.093 0.473 . . . . 0.0 110.419 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.95 68.85 10.68 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.207 0.527 . . . . 0.0 111.114 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.652 HG21 ' HB2' ' B' ' 102' ' ' ALA . 45.7 mt -96.84 -60.29 2.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.841 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.28 110.67 3.62 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 113.63 -14.44 22.4 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.658 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -105.15 -57.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.78 0.324 . . . . 0.0 110.54 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 133.22 -106.86 0.65 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.654 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . 0.569 ' H ' ' HG2' ' A' ' 106' ' ' ARG . 9.0 mm-40 -89.24 140.04 29.88 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' VAL . . . . . 0.622 HG11 HG12 ' B' ' 130' ' ' ILE . 15.5 m -130.63 165.13 31.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.837 0.351 . . . . 0.0 111.155 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 137' ' ' ASN . . . . . 0.529 ' OD1' ' HG2' ' B' ' 140' ' ' GLU . 25.7 p-10 -94.88 141.96 28.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.144 0.497 . . . . 0.0 111.005 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' TYR . . . . . 0.439 ' CE2' ' HG3' ' B' ' 86' ' ' ARG . 47.9 p90 -68.17 -24.87 65.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.752 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -54.05 -43.39 70.18 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . 0.529 ' HG2' ' OD1' ' B' ' 137' ' ' ASN . 12.3 mm-40 -60.62 -45.17 95.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.711 0.291 . . . . 0.0 111.032 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -39.99 92.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.075 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 77.8 t -62.2 -43.91 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.083 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -65.89 -33.28 75.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.261 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 82.7 mtp -70.89 -47.81 57.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 23.2 ptp -67.01 -24.78 66.06 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 16.5 p -87.36 -20.23 27.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.04 0.448 . . . . 0.0 110.721 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.49 -29.57 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.634 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.865 179.898 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.815 ' HA2' ' HD2' ' B' ' 94' ' ' LYS . . . . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 113.39 0.116 . . . . 0.0 113.39 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -49.43 24.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.326 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.548 ' HE2' ' HB2' ' B' ' 95' ' ' ASP . 27.4 mttt -64.35 -29.41 70.48 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.554 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.43 -35.79 76.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.684 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.1 tpp -61.74 -53.1 60.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.7 mt -65.76 -36.5 83.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.818 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.46 -46.46 86.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.144 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -64.52 -44.86 89.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.3 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -59.23 -43.83 92.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.626 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -68.41 -49.66 58.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.693 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.559 ' HA ' HD12 ' A' ' 25' ' ' ILE . 35.0 ttm180 -58.26 -32.32 68.27 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.87 -17.96 64.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.4 mtm -117.47 -45.42 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.931 ' HB ' HD11 ' A' ' 25' ' ' ILE . 1.3 m -68.33 -11.84 60.15 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 19.4 ttm-85 -69.69 -13.89 62.53 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.438 0.637 . . . . 0.0 110.189 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -77.27 -11.84 59.88 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.464 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -92.57 127.83 38.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.458 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.1 mp0 -75.63 146.48 40.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.734 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 69.21 18.67 8.1 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.667 0.604 . . . . 0.0 110.86 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.3 t -123.07 117.47 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.654 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -116.0 149.27 39.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.931 HD11 ' HB ' ' A' ' 17' ' ' THR . 10.6 mt -129.45 96.96 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.856 0.36 . . . . 0.0 111.233 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -97.99 -51.24 4.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.233 0.54 . . . . 0.0 109.653 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -157.02 167.57 30.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.952 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.404 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 60.6 m-85 -77.57 48.24 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.636 0.255 . . . . 0.0 111.348 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 m -148.61 -81.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -60.89 -45.06 96.11 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.05 2.0 9.79 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.404 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 39.2 m95 -122.34 14.2 10.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.482 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.7 t -69.03 -31.89 71.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.479 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.3 p -79.28 -27.73 42.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.279 0.562 . . . . 0.0 110.604 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.12 -3.68 79.65 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.763 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.49 -30.53 71.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.421 . . . . 0.0 110.335 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.57 -33.25 72.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.251 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.41 ' O ' HG12 ' A' ' 42' ' ' ILE . 39.7 m-85 -63.21 -55.62 23.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.086 0.469 . . . . 0.0 110.032 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 41.9 m -63.45 -35.66 81.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.25 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.16 98.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.794 0.33 . . . . 0.0 110.683 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.4 tp -71.32 -46.74 59.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 38' ' ' PHE . 49.4 mm -61.18 -39.11 81.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.008 0.432 . . . . 0.0 110.768 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -64.22 -24.34 67.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.265 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -73.96 -28.88 61.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.022 0.439 . . . . 0.0 110.433 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -90.72 -39.42 12.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.639 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.43 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 78.2 m-85 -126.39 102.1 27.07 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.007 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.44 -29.29 25.61 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 122.848 2.365 . . . . 0.0 111.972 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -86.09 -0.81 56.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.376 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.755 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -62.55 -56.52 17.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.761 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -169.41 164.11 10.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.804 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.507 ' HB2' ' HB2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -94.1 111.88 23.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.985 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.561 ' HA ' HD12 ' A' ' 55' ' ' LEU . 89.4 t80 -69.38 -37.9 77.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.1 -21.76 66.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.072 0.463 . . . . 0.0 111.202 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 13.3 mm-40 -93.36 -1.45 55.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.366 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 52' ' ' TYR . 30.0 mt -79.81 136.41 36.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.012 0.434 . . . . 0.0 110.981 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.441 ' HB2' ' HE2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -101.69 121.87 49.63 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.46 179.532 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.412 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 19.2 Cg_endo -60.14 -21.56 66.4 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.705 2.27 . . . . 0.0 112.593 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.97 -7.2 55.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.159 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 56' ' ' ASP . 55.4 mtmt -115.93 49.84 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.812 0.339 . . . . 0.0 110.379 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 57' ' ' PRO . 54.2 mtm180 -57.07 -33.53 67.36 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.14 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.7 mtm105 -59.51 -45.34 91.99 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.906 0.384 . . . . 0.0 110.272 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -74.37 -34.84 63.47 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -59.02 -53.95 52.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.86 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -59.24 -44.51 92.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.715 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.7 m -60.64 -45.46 94.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.6 tp -61.95 -41.63 98.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.535 -179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.65 -54.61 43.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.436 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -62.22 -51.32 68.25 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.3 p -56.48 -48.62 76.72 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.755 HG21 ' HB1' ' A' ' 49' ' ' ALA . 13.6 m -65.65 -40.03 92.03 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.574 0.226 . . . . 0.0 111.242 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.37 -43.52 98.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.168 0.509 . . . . 0.0 109.943 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.49 ' HA ' ' H ' ' A' ' 77' ' ' CYS . 31.6 tt0 -70.55 -41.42 72.5 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.648 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 73' ' ' LYS . 31.1 tptt -67.44 -33.26 74.78 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.8 mt -100.99 -33.74 10.05 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.6 1.24 12.23 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 t70 55.39 45.0 26.27 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.089 0.471 . . . . 0.0 111.456 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.49 ' H ' ' HA ' ' A' ' 72' ' ' GLU . 46.7 m -72.7 152.71 41.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.057 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.17 142.09 33.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.511 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -79.8 76.51 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.002 0.43 . . . . 0.0 110.27 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 100' ' ' TYR . 94.6 mt -82.41 -14.9 54.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.328 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.6 mt -136.53 147.26 46.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.157 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -110.54 142.06 42.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.533 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.57 -56.31 18.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.82 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -60.06 -30.64 69.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.105 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.638 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 2.1 t0 -76.56 -48.95 17.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.754 0.311 . . . . 0.0 110.692 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 83.3 mtp -58.78 -48.04 82.61 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.0 t -60.9 -35.36 64.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.137 0.494 . . . . 0.0 110.329 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -69.4 -40.54 77.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 85' ' ' ASP . 55.3 mt -73.39 -31.46 63.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.053 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.93 -50.38 0.69 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.405 0.682 . . . . 0.0 111.797 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.5 t -110.7 104.88 56.71 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.35 144.97 63.91 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.932 2.421 . . . . 0.0 112.484 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' OD2' ' HB3' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -71.0 136.35 48.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.29 179.335 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 m -60.72 -27.82 68.19 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.42 ' HB3' ' OD2' ' A' ' 93' ' ' ASP . 49.6 tttp -72.08 -48.35 44.76 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.696 0.284 . . . . 0.0 111.41 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.1 m -58.15 -45.39 87.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.75 -42.6 89.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.421 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -58.38 -50.91 71.96 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.718 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.0 m -59.38 -41.64 89.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.406 ' HA ' HD12 ' A' ' 80' ' ' LEU . 58.2 t80 -60.96 -49.65 76.57 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.279 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.52 -36.33 70.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.555 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.55 -52.47 65.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.21 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.89 -36.47 83.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.774 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 49.8 tp -66.12 -34.54 78.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.263 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.521 ' HA ' HD12 ' A' ' 108' ' ' LEU . 54.3 t80 -59.4 -33.31 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.265 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.499 ' HA ' ' HA3' ' B' ' 134' ' ' GLY . 41.2 mtp180 -67.96 -30.54 69.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.075 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 m -79.65 -8.07 58.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.394 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 105' ' ' TYR . 36.4 mt -96.24 -39.49 9.64 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.667 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.601 ' HB ' ' O ' ' B' ' 133' ' ' ASP . 59.1 t -64.05 -40.85 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 120.894 0.378 . . . . 0.0 111.036 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.427 ' OE1' ' HE2' ' A' ' 111' ' ' LYS . 3.8 pt20 -64.6 -29.85 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.581 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.427 ' HE2' ' OE1' ' A' ' 110' ' ' GLN . 73.1 mmtt -86.03 -7.86 58.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.117 0.484 . . . . 0.0 110.541 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.91 15.4 81.68 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.297 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 83.7 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.887 0.375 . . . . 0.0 110.711 -179.777 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.885 0.374 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 27.5 mp0 -58.66 -33.52 70.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.321 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -59.95 -32.11 70.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.44 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.93 -48.17 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.429 ' HD2' HH11 ' B' ' 86' ' ' ARG . 20.6 ttt180 -66.5 -39.51 88.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.066 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.519 ' O ' HG23 ' B' ' 91' ' ' VAL . 3.6 mm-40 -60.03 -37.08 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.44 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.196 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -69.14 -31.42 70.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.761 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -63.99 -30.22 71.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.765 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 87' ' ' GLU . 88.2 t -73.91 -30.43 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.414 0.626 . . . . 0.0 109.642 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' PHE . . . . . 0.41 ' CE1' HG22 ' B' ' 108' ' ' VAL . 19.1 m-85 -76.5 -45.11 32.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.586 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -81.2 105.45 12.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.113 0.482 . . . . 0.0 109.82 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.815 ' HD2' ' HA2' ' A' ' 4' ' ' GLY . 33.5 mttt -93.25 12.13 25.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.994 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . 0.548 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 18.8 t70 -122.23 -42.44 2.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.077 0.465 . . . . 0.0 111.886 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.2 43.03 3.59 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.58 -26.56 13.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.308 -0.446 . . . . 0.0 110.46 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.03 10.99 68.23 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.358 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' TYR . . . . . 0.442 ' CD1' ' HB3' ' B' ' 135' ' ' GLN . 70.9 m-85 -110.05 134.06 52.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.561 0.219 . . . . 0.0 110.715 -179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.4 pt -141.11 148.55 21.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.04 148.41 48.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.964 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.66 81.62 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.34 93.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.704 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.56 ' O ' HG23 ' B' ' 108' ' ' VAL . 0.8 OUTLIER -68.52 -36.2 78.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.718 179.69 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 11.0 tp -58.4 -51.21 70.8 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.597 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -65.04 -28.33 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.331 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -65.93 -34.67 78.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.264 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 104' ' ' GLU . 19.9 t -74.12 -43.16 51.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.731 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 91.1 mtp -57.11 -44.6 83.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 2.6 p -73.03 -33.72 65.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -64.62 -34.87 79.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.1 -27.36 68.87 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.371 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.71 20.81 38.95 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -70.53 131.61 44.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -86.89 75.09 9.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.168 0.509 . . . . 0.0 111.74 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -123.78 154.74 39.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.214 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 64.0 p -84.01 154.74 23.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.057 0.456 . . . . 0.0 111.402 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -64.28 -30.23 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.91 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 16.0 mp0 -62.08 -42.16 98.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.772 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' B' ' 124' ' ' MET . 34.3 mt-10 -62.28 -43.32 99.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.375 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 16.2 t -66.19 -39.36 84.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.32 -34.59 74.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.785 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 22.7 mt-10 -73.23 -35.31 66.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.418 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' B' ' 120' ' ' GLU . 44.4 mtt -64.89 -34.8 79.26 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.633 ' HA ' HD13 ' B' ' 130' ' ' ILE . 93.7 mt -65.34 -25.04 36.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.832 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -92.11 -1.84 56.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.606 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.44 -42.19 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.801 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.88 167.08 11.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.372 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -86.98 85.08 7.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.137 0.494 . . . . 0.0 111.998 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.633 HD13 ' HA ' ' B' ' 125' ' ' ILE . 1.8 mp -87.35 -64.92 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.805 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -95.65 164.5 12.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.4 -8.22 65.44 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' ASP . . . . . 0.601 ' O ' ' HB ' ' A' ' 109' ' ' VAL . 21.7 t70 -117.56 -94.19 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.985 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' GLY . . . . . 0.499 ' HA3' ' HA ' ' A' ' 106' ' ' ARG . . . 155.77 -26.71 0.58 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.361 -0.924 . . . . 0.0 112.857 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . 0.442 ' HB3' ' CD1' ' B' ' 99' ' ' TYR . 7.2 mm-40 -143.79 136.58 27.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.845 0.355 . . . . 0.0 111.072 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 17.2 t -107.55 134.09 50.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.043 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -77.35 120.49 22.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.907 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' TYR . . . . . 0.421 ' O ' HG23 ' B' ' 142' ' ' VAL . 0.8 OUTLIER -63.39 -35.08 79.24 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -178.349 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -57.38 -41.33 79.99 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.29 -50.61 70.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.848 0.356 . . . . 0.0 111.429 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -64.69 -34.83 79.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.617 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 138' ' ' TYR . 71.6 t -63.16 -45.59 98.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.31 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -66.3 -39.56 89.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.779 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . 0.408 ' O ' ' HG3' ' B' ' 148' ' ' LYS . 98.8 mtp -62.84 -47.56 82.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.22 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 19.4 ptp -69.09 -19.0 64.05 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.3 p -92.06 -7.18 49.44 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.859 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -116.55 23.5 11.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.087 0.47 . . . . 0.0 110.984 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 144' ' ' MET . 66.0 mttm . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.669 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.805 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -56.15 25.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.084 0.469 . . . . 0.0 110.999 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -68.34 -36.06 78.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.656 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -63.38 -41.62 98.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.208 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 tpt -62.42 -44.61 96.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.985 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.91 -39.8 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.866 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.27 -42.99 87.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.54 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -67.2 -37.07 83.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.0 110.518 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -60.92 -52.8 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.26 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 p -68.22 -30.94 70.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.892 0.377 . . . . 0.0 111.105 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -64.27 -35.63 81.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.992 0.425 . . . . 0.0 110.372 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 -27.27 58.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.642 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.1 mmt -82.12 -22.36 36.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.265 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 t -92.03 -2.07 56.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.195 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -67.33 -25.1 65.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.069 0.461 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -94.25 4.51 53.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.287 0.565 . . . . 0.0 110.386 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.404 ' HE2' ' HG2' ' A' ' 44' ' ' LYS . 9.5 m-85 -118.21 101.54 8.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.57 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 23.9 mm-40 -70.25 158.26 36.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.412 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 52.7 t60 79.92 -47.39 0.34 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.738 -178.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 t -72.71 97.03 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.975 0.416 . . . . 0.0 110.243 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -107.04 100.64 10.12 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.119 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.465 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 65.5 mt -78.4 106.97 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.995 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -100.51 -45.65 5.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.476 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -146.64 166.96 24.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.381 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.401 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 62.7 m-85 -79.54 55.04 1.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.9 0.381 . . . . 0.0 111.123 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.574 ' HA ' ' HG2' ' A' ' 92' ' ' PRO . 33.2 t -162.38 -71.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.872 0.368 . . . . 0.0 111.299 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -48.31 74.12 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' A' ' 25' ' ' ILE . 1.8 m -76.68 -1.32 27.21 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.401 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.1 m95 -115.51 13.51 16.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.778 0.323 . . . . 0.0 110.245 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.1 p -66.45 -44.32 83.12 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.73 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.75 ' HB2' ' HG2' ' A' ' 36' ' ' MET . 0.0 OUTLIER -83.15 -16.04 48.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.162 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.418 ' HA2' ' HD2' ' A' ' 38' ' ' PHE . . . 80.39 -2.78 75.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.858 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.75 ' HG2' ' HB2' ' A' ' 34' ' ' SER . 80.9 mmm -56.54 -37.92 71.16 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.823 0.345 . . . . 0.0 111.153 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.88 -35.23 76.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.444 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.418 ' HD2' ' HA2' ' A' ' 35' ' ' GLY . 62.7 m-85 -64.95 -53.27 48.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.3 m -59.5 -40.35 86.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.005 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.46 81.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.09 -46.24 89.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.265 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.8 mm -63.38 -44.4 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.968 0.413 . . . . 0.0 110.647 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -66.41 -25.98 67.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.606 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -68.01 -26.18 65.76 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.699 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.61 ' HB3' HD13 ' A' ' 113' ' ' LEU . 85.4 m-85 -109.17 -29.55 8.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.517 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -116.83 89.0 27.63 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.853 0.359 . . . . 0.0 110.272 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.88 -22.48 56.07 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.803 2.336 . . . . 0.0 112.188 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -97.03 10.67 38.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.975 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.71 -62.36 1.48 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.147 0.499 . . . . 0.0 110.515 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -162.96 167.4 22.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.41 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.684 ' HB3' ' HB2' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -94.09 110.76 22.45 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.776 0.322 . . . . 0.0 110.99 -179.502 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -71.51 -31.56 67.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.071 0.463 . . . . 0.0 110.341 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.57 -20.61 64.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.165 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.684 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 0.6 OUTLIER -94.17 -2.76 52.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.885 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.7 mt -83.08 165.91 19.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.854 0.359 . . . . 0.0 111.188 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -154.36 141.18 13.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -50.26 -23.77 10.47 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.554 2.836 . . . . 0.0 113.74 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.19 67.77 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.122 0.487 . . . . 0.0 110.769 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -94.84 28.51 2.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.233 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -51.29 -42.36 61.09 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.51 -28.47 67.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.11 -19.64 21.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.592 0.234 . . . . 0.0 111.569 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -58.39 -46.39 86.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.603 ' HB2' HG13 ' A' ' 83' ' ' VAL . 80.3 m-85 -59.81 -46.03 90.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.901 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -50.47 73.04 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.9 tp -56.45 -47.61 78.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.258 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.71 -52.16 64.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.567 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -65.22 -57.23 9.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.1 m -55.21 -43.6 74.6 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.2 m -68.16 -39.04 82.7 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.593 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.53 95.12 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -67.4 -16.75 64.41 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.106 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -95.11 -41.46 9.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.855 0.36 . . . . 0.0 111.236 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.6 mt -80.87 -48.25 12.64 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -108.61 -23.64 11.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.0 t0 68.13 68.76 0.33 Allowed 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.838 0.711 . . . . 0.0 111.093 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.6 p -88.26 166.1 14.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.686 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.4 128.42 33.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.444 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -78.19 68.9 4.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.393 0.616 . . . . 0.0 110.947 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.4 mt -88.91 -4.39 58.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.373 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.7 mt -119.27 126.32 51.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.784 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.76 129.18 34.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.675 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.603 HG13 ' HB2' ' A' ' 64' ' ' PHE . 49.1 t -63.86 -68.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.404 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -57.57 -39.51 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.087 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -60.25 -41.81 93.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.709 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 80.7 mtp -71.26 -32.66 68.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.734 0.302 . . . . 0.0 110.811 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 83' ' ' VAL . 90.3 t -62.8 -51.32 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.253 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -68.22 -38.42 81.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.812 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.45 -45.03 81.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.562 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.81 -43.75 0.57 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.743 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 36.7 t -106.13 100.99 31.82 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.574 ' HG2' ' HA ' ' A' ' 29' ' ' SER . 77.9 Cg_endo -79.98 170.55 16.44 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.47 2.113 . . . . 0.0 111.817 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -99.41 135.83 40.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.437 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.5 m -60.03 -29.88 68.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.243 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.415 ' HG2' ' OD2' ' B' ' 95' ' ' ASP . 8.3 tmtm? -67.06 -41.65 86.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.233 0.54 . . . . 0.0 110.35 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.1 m -71.86 -39.9 69.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.602 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' ILE . 59.0 t -65.76 -45.68 91.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.491 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -55.71 -45.37 77.89 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 48.3 m -57.63 -43.49 84.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.477 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -68.6 -47.5 66.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.079 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 97' ' ' VAL . 44.4 mm -59.76 -39.92 81.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.08 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -60.33 -50.52 73.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.297 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.37 -35.38 80.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.672 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.43 -38.98 92.93 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.513 ' O ' HG23 ' A' ' 109' ' ' VAL . 23.2 t80 -67.85 -31.21 70.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.726 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.756 ' HD3' ' HB2' ' B' ' 135' ' ' GLN . 8.8 mtm180 -57.51 -44.51 85.08 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.745 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -73.7 -35.24 65.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.481 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.79 -31.41 72.38 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.535 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 105' ' ' TYR . 79.6 t -65.78 -52.87 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.39 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.509 ' HG2' ' H ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -65.46 -35.08 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.408 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -70.8 -30.35 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.114 0.483 . . . . 0.0 110.487 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.16 28.44 60.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.533 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.61 HD13 ' HB3' ' A' ' 45' ' ' PHE . 23.7 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.918 0.39 . . . . 0.0 111.456 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.437 0.636 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.29 -34.3 70.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.02 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' B' ' 84' ' ' GLU . 28.4 mp0 -60.42 -35.88 76.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.53 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.2 mt -70.19 -43.13 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.056 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -64.29 -41.07 97.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.295 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.456 ' O ' HG23 ' B' ' 91' ' ' VAL . 96.7 mt-10 -64.14 -37.35 87.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.67 90.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.989 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -66.55 -33.46 75.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.339 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -69.72 -14.15 62.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.728 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 87' ' ' GLU . 72.6 t -69.87 -33.47 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -86.91 -15.21 39.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.135 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -92.64 100.79 13.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -74.36 26.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . 0.415 ' OD2' ' HG2' ' A' ' 95' ' ' LYS . 25.6 t70 -159.03 -42.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.992 0.425 . . . . 0.0 111.454 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.89 54.49 0.92 Allowed Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -104.7 -32.49 8.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.767 0.318 . . . . 0.0 111.477 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' GLY . . . . . 0.61 ' HA2' ' CZ ' ' B' ' 138' ' ' TYR . . . 107.67 15.19 15.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.567 -0.825 . . . . 0.0 113.741 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -127.54 128.56 45.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.195 0.498 . . . . 0.0 111.626 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.701 HG12 ' HD2' ' B' ' 138' ' ' TYR . 20.6 pt -136.6 -179.78 3.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.433 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.67 153.77 34.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.229 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.67 -36.43 84.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.23 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.02 -46.6 80.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.138 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.526 ' O ' HG23 ' B' ' 108' ' ' VAL . 1.3 mp0 -61.41 -42.37 98.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.108 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 35.4 tp -53.51 -51.71 61.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.741 ' HD3' HD11 ' B' ' 125' ' ' ILE . 61.9 mtm180 -66.65 -36.27 82.16 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.188 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -64.52 -40.21 95.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.14 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 104' ' ' GLU . 78.4 t -67.71 -41.92 85.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.906 0.384 . . . . 0.0 110.145 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.27 -42.27 90.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.503 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.82 -35.71 62.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.0 0.428 . . . . 0.0 110.717 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -64.6 -31.28 72.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 108' ' ' VAL . 86.8 mt -67.66 -19.4 65.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.182 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.67 22.59 33.33 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.203 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -68.47 132.29 46.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.959 0.409 . . . . 0.0 110.595 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' B' ' 115' ' ' LYS . 19.2 mtmt -92.62 63.37 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.029 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.429 HD23 ' H ' ' B' ' 116' ' ' LEU . 2.3 pt? -118.48 141.17 48.83 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.966 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . 0.435 ' O ' HG23 ' B' ' 121' ' ' VAL . 57.7 p -73.31 158.58 34.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.864 0.364 . . . . 0.0 111.079 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -30.67 69.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -62.61 -43.11 99.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.175 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.61 -38.81 90.5 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.531 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 117' ' ' THR . 14.1 t -65.54 -44.96 93.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -59.11 -41.69 88.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.401 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -61.92 -44.46 96.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.522 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 69.0 mtt -62.6 -36.08 81.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.705 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.741 HD11 ' HD3' ' B' ' 106' ' ' ARG . 96.8 mt -62.48 -43.23 98.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.735 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -75.93 -14.55 60.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.916 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -87.8 -8.16 56.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.479 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -128.94 -176.05 3.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.718 0.294 . . . . 0.0 111.138 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -91.41 96.25 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.422 0.63 . . . . 0.0 110.529 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' B' ' 125' ' ' ILE . 58.2 mt -132.64 -59.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.214 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.42 108.38 13.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.602 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 115.61 -6.76 20.43 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.13 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' ASP . . . . . 0.639 ' OD2' ' HD2' ' A' ' 106' ' ' ARG . 2.9 t70 -108.42 -160.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.778 0.289 . . . . 0.0 110.821 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -113.3 -38.19 1.25 Allowed Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.719 -0.753 . . . . 0.0 113.672 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . 0.756 ' HB2' ' HD3' ' A' ' 106' ' ' ARG . 15.5 mm-40 -139.79 156.38 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.014 0.407 . . . . 0.0 110.163 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 24.9 t -116.2 130.46 70.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.32 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 137' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 0.2 OUTLIER -80.13 118.17 21.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.476 178.715 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 138' ' ' TYR . . . . . 0.701 ' HD2' HG12 ' B' ' 100' ' ' ILE . 7.9 p90 -78.64 -22.82 46.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.45 -41.58 89.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 111.126 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -57.86 -45.22 86.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.891 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -64.06 -37.25 86.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.384 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 138' ' ' TYR . 95.5 t -62.96 -44.82 99.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -68.48 -33.86 74.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.841 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 65.1 mtp -68.66 -40.69 80.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.369 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 20.5 ptp -78.69 -12.96 60.04 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.7 p -94.69 -26.41 16.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.932 0.396 . . . . 0.0 111.208 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.7 -12.88 59.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.981 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 54.4 mttm . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.582 -179.676 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.673 ' HA2' ' HG3' ' B' ' 94' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.444 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p -71.52 -28.42 63.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.782 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -65.49 -36.6 84.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.328 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -63.49 -29.4 70.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.441 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.9 tpt -66.98 -46.09 75.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.22 -37.31 72.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.976 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.4 tp -60.19 -50.43 73.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.63 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -63.49 -45.98 88.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.31 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -55.86 -49.93 72.0 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.1 t -68.02 -47.17 69.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.425 ' HA ' HD12 ' A' ' 25' ' ' ILE . 33.1 ttm180 -55.54 -42.81 75.14 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.17 99.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.9 ttm -80.37 -37.02 33.13 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -76.59 -10.31 59.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.742 0.306 . . . . 0.0 111.154 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -60.85 -23.31 65.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.454 0.645 . . . . 0.0 110.231 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -68.63 -24.79 64.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.0 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.47 ' CE2' ' HD3' ' A' ' 44' ' ' LYS . 57.1 m-85 -92.64 120.9 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.05 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 22.1 mp0 -78.43 151.85 32.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.096 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.434 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 12.5 t-80 74.92 -10.05 1.27 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.637 0.586 . . . . 0.0 111.711 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.8 t -110.72 84.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.184 0.516 . . . . 0.0 110.2 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.35 153.22 18.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.132 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 14' ' ' ARG . 44.5 mt -120.01 107.64 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.941 0.4 . . . . 0.0 111.26 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -92.38 -58.54 2.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.683 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -150.36 167.94 25.57 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.457 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 74.8 m-85 -77.88 50.22 0.84 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.845 0.355 . . . . 0.0 111.309 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 m -152.47 -79.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.674 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -60.99 -47.5 86.15 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -11.26 58.13 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.457 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 61.0 m95 -104.74 -3.39 23.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.635 0.255 . . . . 0.0 111.544 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.3 m -69.11 -21.45 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.134 0.492 . . . . 0.0 110.943 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.1 p -82.44 -22.23 35.34 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.374 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.485 ' HA2' ' HD2' ' A' ' 38' ' ' PHE . . . 77.69 -9.78 27.98 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.758 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.9 mmm -66.45 -25.57 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 111.78 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.15 71.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.051 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.485 ' HD2' ' HA2' ' A' ' 35' ' ' GLY . 75.9 m-85 -63.48 -55.83 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.976 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.514 ' SG ' ' HE1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -65.77 -31.55 72.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.767 -179.341 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.64 -49.85 75.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.869 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.2 tp -64.36 -40.14 95.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 38' ' ' PHE . 47.8 mm -64.76 -47.37 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -68.82 -27.44 65.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.337 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.47 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 40.5 tptt -64.54 -30.8 71.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -96.74 -43.29 7.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -112.75 101.1 52.41 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.94 -35.15 15.81 Favored 'Trans proline' 0 CA--C 1.527 0.16 0 C-N-CA 122.977 2.451 . . . . 0.0 112.357 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -80.65 3.62 21.42 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.01 -56.88 13.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.896 0.379 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -171.34 165.32 7.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.018 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.404 ' HB2' ' HG2' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -88.1 101.48 13.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.233 0.54 . . . . 0.0 110.654 179.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.514 ' HE1' ' SG ' ' A' ' 39' ' ' CYS . 48.9 t80 -65.32 -32.99 74.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.259 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.3 -10.05 57.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.23 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' HG2' ' HB2' ' A' ' 51' ' ' ASP . 69.8 mm-40 -105.06 9.37 34.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.58 0.229 . . . . 0.0 111.395 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 68.9 mt -87.36 151.0 23.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.792 0.329 . . . . 0.0 111.402 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.593 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 16.2 m-20 -125.88 147.28 58.34 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.422 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.465 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 29.2 Cg_endo -64.91 -25.93 59.51 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.66 2.24 . . . . 0.0 111.484 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.98 -6.3 55.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.496 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.593 ' HD2' ' HB2' ' A' ' 56' ' ' ASP . 81.6 mttt -110.86 26.49 10.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.314 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 57' ' ' PRO . 43.2 mtm180 -56.43 -36.77 69.36 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.988 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -58.73 -42.92 89.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.102 0.477 . . . . 0.0 110.36 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -34.73 57.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.494 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -57.24 -48.01 79.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.487 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.538 ' HB2' HG13 ' A' ' 83' ' ' VAL . 30.1 m-85 -58.69 -49.23 78.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.8 0.333 . . . . 0.0 110.779 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.9 m -61.55 -45.02 95.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.419 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.4 tp -56.25 -46.34 79.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.483 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.02 -49.03 71.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.447 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -65.76 -43.87 87.6 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.1 p -63.86 -54.1 40.24 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.4 m -59.54 -36.74 76.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.554 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.91 97.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 0.0 110.042 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -71.86 -32.73 67.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.519 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -74.65 -17.31 60.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.454 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.2 mt -106.21 -45.93 4.19 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.09 9.97 7.48 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 50.24 54.27 11.4 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.207 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 57.9 m -67.15 140.07 57.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.696 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.5 139.22 58.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.023 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -77.05 80.4 3.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.962 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 100' ' ' TYR . 44.4 mt -96.48 1.07 51.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.194 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.5 mt -144.34 142.73 30.58 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.142 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -106.24 140.88 38.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 64' ' ' PHE . 53.0 t -64.25 -52.25 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.415 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.88 -51.71 68.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.795 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -58.55 -38.56 78.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.644 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -40.53 96.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.336 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 83' ' ' VAL . 40.5 t -74.49 -32.73 30.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.295 0.569 . . . . 0.0 109.948 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 88' ' ' ARG . 14.4 ttp85 -69.15 -54.59 14.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.1 mt -74.02 -33.64 63.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.593 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.81 -58.71 0.58 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.319 0.648 . . . . 0.0 111.306 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.2 t -98.44 111.06 59.02 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -77.41 161.74 31.35 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.683 2.256 . . . . 0.0 112.37 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.4 150.69 24.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.697 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -61.56 -37.1 82.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -62.69 -44.48 96.12 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.824 0.345 . . . . 0.0 111.243 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.9 m -61.21 -33.42 73.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.73 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 20.9 t -83.73 -39.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.95 0.405 . . . . 0.0 110.145 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -56.17 -51.85 66.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.227 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.464 HG23 HD13 ' A' ' 80' ' ' LEU . 7.1 t -66.82 -27.01 67.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.804 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.531 ' HA ' HD12 ' A' ' 80' ' ' LEU . 37.4 t80 -73.76 -47.72 36.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.906 0.384 . . . . 0.0 110.42 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.9 mm -68.14 -33.96 63.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -57.1 -52.88 63.5 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.289 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -67.4 -35.49 79.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.245 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 60.1 tp -62.98 -46.46 87.58 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.51 ' O ' HG23 ' A' ' 109' ' ' VAL . 60.7 t80 -59.3 -42.79 92.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.008 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.592 ' HA ' ' HA3' ' B' ' 134' ' ' GLY . 6.2 ttm-85 -60.75 -38.34 84.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.394 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.7 m -70.13 -27.76 64.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.754 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 43.3 mt -82.08 -29.18 31.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.644 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 105' ' ' TYR . 76.8 t -65.33 -51.42 64.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.9 0.381 . . . . 0.0 110.818 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.47 -11.87 58.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.561 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.482 ' HB3' ' HG ' ' A' ' 113' ' ' LEU . 37.0 mmtt -99.29 -8.3 25.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.699 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 68.2 14.21 65.91 Favored Glycine 0 C--O 1.228 -0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.741 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.482 ' HG ' ' HB3' ' A' ' 111' ' ' LYS . 76.6 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.934 0.397 . . . . 0.0 111.475 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -55.2 -35.94 65.4 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.941 0.4 . . . . 0.0 111.272 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -58.7 -41.32 86.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.972 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 34.9 mt -64.68 -44.9 96.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.034 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.634 ' HG3' ' HE2' ' B' ' 138' ' ' TYR . 31.3 ttt180 -62.95 -40.45 97.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.136 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.508 ' O ' HG23 ' B' ' 91' ' ' VAL . 18.3 mm-40 -64.75 -45.56 85.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.42 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.79 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.573 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -66.22 -32.25 73.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.841 0.353 . . . . 0.0 110.971 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -72.8 -22.37 60.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.737 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 87' ' ' GLU . 92.5 t -65.34 -33.31 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.105 0.478 . . . . 0.0 110.453 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -73.33 -30.43 63.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.136 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -72.92 110.77 7.47 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.673 ' HG3' ' HA2' ' A' ' 4' ' ' GLY . 55.0 mmtt -85.31 23.57 1.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -150.27 -41.87 0.13 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.969 0.414 . . . . 0.0 111.348 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.42 64.43 0.7 Allowed Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.0 -33.67 3.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.573 0.225 . . . . 0.0 110.932 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.08 12.1 32.51 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.392 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' B' ' 135' ' ' GLN . 10.3 m-85 -119.47 116.54 26.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.726 0.298 . . . . 0.0 110.874 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.444 HD11 HD12 ' B' ' 105' ' ' LEU . 25.0 pt -125.47 172.29 13.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.847 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.72 146.41 26.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.579 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.09 83.25 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.83 -44.04 97.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.536 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.523 ' O ' HG23 ' B' ' 108' ' ' VAL . 1.7 mp0 -68.34 -34.33 75.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.83 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.444 HD12 HD11 ' B' ' 100' ' ' ILE . 0.9 OUTLIER -61.63 -46.45 89.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.053 0.454 . . . . 0.0 110.306 179.117 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.507 ' HD3' HD11 ' B' ' 125' ' ' ILE . 45.1 mtm180 -66.44 -29.86 70.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.051 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -65.52 -34.37 78.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.557 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.523 HG23 ' O ' ' B' ' 104' ' ' GLU . 41.9 t -70.17 -43.89 78.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.955 0.407 . . . . 0.0 110.107 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.3 -43.79 92.57 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.563 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.04 -28.97 64.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.173 0.511 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -71.83 -44.56 63.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.755 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.64 -31.8 73.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.282 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.53 42.72 3.59 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.446 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -77.08 125.12 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -79.7 64.57 4.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.097 0.475 . . . . 0.0 111.513 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 7.5 tp -119.57 146.21 45.7 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.495 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 60.5 p -79.74 150.49 30.8 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 121.114 -0.234 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.33 -33.15 67.43 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.223 0.535 . . . . 0.0 110.131 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -64.1 -41.84 97.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.448 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -66.57 -39.58 88.55 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.987 0.423 . . . . 0.0 110.392 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.34 -42.6 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.459 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -37.61 86.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.329 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.45 -44.11 97.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.46 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' MET . . . . . 0.434 ' HE2' ' HD2' ' B' ' 148' ' ' LYS . 62.0 mtt -63.95 -39.38 94.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.761 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.693 HG23 HG13 ' B' ' 130' ' ' ILE . 37.8 mt -59.66 -38.88 77.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.573 178.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 126' ' ' ARG . 32.9 mtt180 -73.36 -24.35 60.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.969 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -87.01 -22.37 25.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.67 0.272 . . . . 0.0 111.399 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.31 177.09 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.922 0.391 . . . . 0.0 111.193 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -87.53 90.14 8.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.693 HG13 HG23 ' B' ' 125' ' ' ILE . 41.7 mm -108.73 -90.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -82.44 115.47 21.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.628 0.251 . . . . 0.0 110.573 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 123.27 -18.93 7.75 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.377 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -96.15 -83.23 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.845 0.323 . . . . 0.0 111.346 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' GLY . . . . . 0.592 ' HA3' ' HA ' ' A' ' 106' ' ' ARG . . . 148.05 -37.07 1.1 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.405 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . 0.529 ' HG2' ' HB2' ' A' ' 106' ' ' ARG . 72.4 mm-40 -127.12 129.56 48.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.745 0.273 . . . . 0.0 110.35 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 46.3 t -101.64 126.82 55.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.968 0.413 . . . . 0.0 111.443 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -83.42 129.27 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.237 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 138' ' ' TYR . . . . . 0.634 ' HE2' ' HG3' ' B' ' 86' ' ' ARG . 16.6 p90 -72.51 -39.94 67.21 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -60.76 -35.84 77.41 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -52.75 -54.39 34.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.561 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -66.32 -35.14 79.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.792 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 138' ' ' TYR . 81.1 t -61.35 -47.25 94.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.2 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -69.56 -29.72 67.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.585 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 93.0 mtp -70.96 -41.3 71.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.772 0.32 . . . . 0.0 110.719 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 20.2 ptp -76.78 -23.14 52.91 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 2.4 p -81.26 -23.2 38.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.815 0.341 . . . . 0.0 111.85 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -90.23 -0.65 57.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.599 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . 0.434 ' HD2' ' HE2' ' B' ' 124' ' ' MET . 66.0 mttm . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.823 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 120.334 -0.148 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.629 ' HB3' ' HE3' ' B' ' 94' ' ' LYS . 12.7 t -69.41 -77.54 0.08 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.625 0.25 . . . . 0.0 110.848 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.525 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 35.5 ttmt -62.78 -33.19 74.66 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.076 0.465 . . . . 0.0 110.607 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -61.07 -38.56 86.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.995 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.4 tpt -58.9 -49.36 78.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.515 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 98' ' ' TYR . 23.5 mt -63.55 -30.65 71.74 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.85 -47.79 73.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.073 0.463 . . . . 0.0 109.959 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -70.55 -36.07 73.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.107 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -56.83 -54.15 49.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.641 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.2 p -68.15 -37.88 81.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.199 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.1 ttp85 -62.34 -42.17 99.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.65 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.51 -31.2 70.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.178 0.513 . . . . 0.0 110.958 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.5 mmt -74.07 -22.54 59.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.775 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.43 HG22 ' HB2' ' A' ' 20' ' ' TYR . 1.8 m -102.33 12.68 36.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.443 0.64 . . . . 0.0 110.506 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -69.88 -25.35 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -92.98 21.0 6.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.26 0.552 . . . . 0.0 110.905 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.43 ' HB2' HG22 ' A' ' 17' ' ' THR . 40.5 m-85 -119.59 152.9 36.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.92 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -108.08 149.06 28.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.445 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . 0.257 0.0 OUTLIER 65.18 -2.19 0.79 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.7 t -113.16 86.57 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.229 0.538 . . . . 0.0 110.008 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -105.84 108.67 20.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.392 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.8 mt -82.44 98.83 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.201 0.524 . . . . 0.0 110.683 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -100.04 -37.21 9.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.83 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -138.95 166.1 25.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -88.63 33.97 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 111.538 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.2 m -148.35 -60.41 0.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.181 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -50.71 71.43 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 m -78.1 0.88 23.04 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -117.78 9.08 12.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 0.0 111.383 -179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 p -66.27 -42.88 87.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.317 0.58 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 p -81.94 -15.24 54.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.754 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.97 4.86 78.74 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.145 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mmt -62.43 -37.01 84.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.719 0.295 . . . . 0.0 111.065 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.91 76.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.473 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -61.86 -53.04 61.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.169 0.509 . . . . 0.0 109.791 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.0 m -62.34 -40.04 95.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.264 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.86 97.96 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.3 tp -66.72 -48.25 69.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.337 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.62 -39.67 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.053 0.454 . . . . 0.0 110.579 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -65.76 -23.15 66.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.595 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -73.14 -22.55 60.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 111.212 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -107.43 -36.31 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.869 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -116.92 99.81 53.09 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.768 0.318 . . . . 0.0 111.113 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -73.06 -26.18 15.33 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.968 2.446 . . . . 0.0 112.031 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -88.52 -1.31 57.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.397 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.568 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -64.41 -68.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.938 0.399 . . . . 0.0 111.127 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -160.15 159.25 31.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.126 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -89.7 105.06 17.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.056 0.455 . . . . 0.0 110.636 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -65.06 -32.98 74.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.395 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.69 -19.92 66.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.15 8.34 42.75 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.099 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.8 mt -86.94 134.41 33.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.95 0.405 . . . . 0.0 111.276 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -115.6 134.38 22.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.511 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -54.82 -21.43 25.83 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.062 2.508 . . . . 0.0 112.647 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.32 -23.51 67.32 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.988 0.423 . . . . 0.0 110.536 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -99.24 31.43 3.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.977 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -54.89 -39.46 68.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.565 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -13.58 60.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.937 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -105.23 -19.6 13.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.041 0.448 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -41.56 99.3 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.709 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.723 ' HB2' HG13 ' A' ' 83' ' ' VAL . 58.5 m-85 -60.47 -47.44 86.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.749 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.53 -45.98 91.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.717 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.01 -49.17 77.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.786 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.96 65.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.449 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -62.46 -56.61 16.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.3 m -53.92 -40.1 66.4 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.568 HG21 ' HB1' ' A' ' 49' ' ' ALA . 19.4 m -68.88 -44.03 74.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.407 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.43 -35.48 80.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.129 0.49 . . . . 0.0 110.197 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.64 -16.5 62.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.094 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -101.16 -45.97 5.21 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.4 mt -80.67 -37.14 31.38 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.79 -9.54 13.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.4 t70 57.59 51.69 9.26 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.488 0.661 . . . . 0.0 110.658 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.6 p -79.6 145.1 33.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.966 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.89 125.59 29.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.785 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.92 85.5 1.27 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.526 0.679 . . . . 0.0 111.932 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.2 mt -87.8 4.9 42.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.817 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.0 mt -142.28 144.42 33.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.32 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 85' ' ' ASP . 13.2 mt-10 -99.39 128.5 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.189 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.723 HG13 ' HB2' ' A' ' 64' ' ' PHE . 88.9 t -52.26 -57.37 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.797 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.57 -39.73 81.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.732 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.564 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 2.0 t0 -62.3 -41.0 98.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.008 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.443 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 85.1 mtp -68.69 -31.69 70.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.972 0.415 . . . . 0.0 110.658 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 83' ' ' VAL . 93.8 t -70.63 -46.9 67.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.418 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -68.75 -44.15 74.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.334 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.99 -32.03 63.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.568 0.223 . . . . 0.0 111.321 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 74.89 -51.57 0.67 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.38 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.3 t -98.74 112.29 62.34 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.722 0.296 . . . . 0.0 110.788 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -82.24 137.75 9.62 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.669 2.246 . . . . 0.0 111.575 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.485 ' HB2' ' SG ' ' A' ' 96' ' ' CYS . 4.4 m-20 -64.63 132.03 48.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.186 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.8 m -57.24 -36.05 70.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.576 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -62.07 -54.19 44.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 93' ' ' ASP . 11.7 m -57.7 -41.49 81.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.57 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' ILE . 88.5 t -65.76 -45.08 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.961 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.53 ' CE1' HD12 ' A' ' 9' ' ' LEU . 89.2 t80 -59.81 -47.91 83.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.844 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.0 m -57.11 -42.04 80.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -64.59 -46.48 82.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.437 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 97' ' ' VAL . 46.6 mm -65.47 -37.6 80.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -58.74 -47.34 84.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.384 . . . . 0.0 111.12 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -72.45 -36.13 68.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.537 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.27 -33.23 75.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.309 0.576 . . . . 0.0 109.881 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.508 ' O ' HG23 ' A' ' 109' ' ' VAL . 50.0 t80 -62.0 -34.22 75.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.133 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -61.27 -46.21 91.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.545 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -61.15 -31.08 70.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.0 mt -75.99 -27.27 57.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 105' ' ' TYR . 96.2 t -70.86 -51.14 38.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.147 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -65.25 -25.54 67.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.596 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.471 ' HB3' ' HG ' ' A' ' 113' ' ' LEU . 13.2 tptp -83.26 -6.23 59.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.377 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.59 27.6 73.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.524 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.471 ' HG ' ' HB3' ' A' ' 111' ' ' LYS . 96.7 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 120.746 0.307 . . . . 0.0 111.577 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 121.043 0.449 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' B' ' 87' ' ' GLU . 58.2 mp0 -63.95 -35.02 79.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.848 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -58.16 -30.81 66.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.933 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 86.9 mt -67.92 -48.16 76.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.701 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 86' ' ' ARG . 21.1 ttt180 -66.71 -37.67 85.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.614 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.457 ' O ' HG23 ' B' ' 91' ' ' VAL . 63.1 mt-10 -60.21 -33.38 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.05 -41.62 58.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.044 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.446 ' HE1' HD12 ' B' ' 105' ' ' LEU . 18.6 m-85 -65.56 -35.43 80.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.18 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' B' ' 90' ' ' ARG . 8.5 ttt180 -66.74 -19.38 65.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.435 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 87' ' ' GLU . 95.2 t -71.12 -33.69 52.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.978 0.418 . . . . 0.0 110.049 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' PHE . . . . . 0.418 ' CE1' HG22 ' B' ' 108' ' ' VAL . 27.5 m-85 -74.77 -26.37 59.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.1 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -80.92 139.39 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.629 ' HE3' ' HB3' ' A' ' 5' ' ' SER . 0.2 OUTLIER -112.34 8.18 19.52 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.54 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -139.85 -34.35 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.784 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.17 35.87 3.53 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -88.91 -29.47 19.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.502 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' GLY . . . . . 0.436 ' HA2' ' CE2' ' B' ' 138' ' ' TYR . . . 89.05 20.69 45.16 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.394 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' TYR . . . . . 0.486 ' CE1' ' HB3' ' B' ' 137' ' ' ASN . 47.0 m-85 -128.74 127.11 41.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.757 0.313 . . . . 0.0 111.683 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.0 pt -134.82 179.59 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.952 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 43.0 p -91.99 166.48 12.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.747 0.308 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.48 -34.59 76.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.403 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.35 84.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.112 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.527 ' O ' HG23 ' B' ' 108' ' ' VAL . 2.6 mp0 -69.1 -47.95 63.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.536 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.446 HD12 ' HE1' ' B' ' 89' ' ' PHE . 6.6 tp -51.54 -48.36 63.06 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.39 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -28.95 69.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.913 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -77.51 -26.76 51.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.132 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 104' ' ' GLU . 11.6 t -69.3 -42.68 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 96.2 mtp -59.82 -42.38 93.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.105 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -43.8 72.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.734 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -66.96 -21.22 65.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.43 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.89 -16.41 61.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.44 11.99 43.03 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.321 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -69.81 137.22 51.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.902 0.382 . . . . 0.0 110.42 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -100.16 16.24 24.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.336 0.589 . . . . 0.0 110.214 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 tp -68.9 134.89 50.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.945 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 39.4 p -70.96 157.39 38.27 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.035 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -58.99 -35.53 73.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.234 0.54 . . . . 0.0 109.69 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 2.7 mp0 -61.42 -43.72 98.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.521 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -63.16 -35.49 80.46 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.973 0.416 . . . . 0.0 110.624 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 39.0 t -74.36 -39.24 48.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' B' ' 126' ' ' ARG . 37.4 t70 -58.27 -37.53 75.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.063 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 52.2 mt-10 -62.48 -41.48 98.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.342 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mtt -66.77 -37.63 84.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.269 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.712 HG23 HD12 ' B' ' 130' ' ' ILE . 95.3 mt -64.72 -30.27 49.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.245 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 91.7 mtt-85 -84.56 -0.66 54.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.844 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' B' ' 123' ' ' GLU . 45.3 mt-10 -115.36 11.46 16.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.96 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -139.57 159.19 42.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.654 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -76.66 93.38 3.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.755 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.712 HD12 HG23 ' B' ' 125' ' ' ILE . 30.3 mt -126.52 -63.94 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.801 0.334 . . . . 0.0 111.086 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -71.48 108.71 5.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.763 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 105.51 12.63 26.24 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.55 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -117.4 -84.13 0.64 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.526 -0.397 . . . . 0.0 111.59 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 159.9 -50.99 0.37 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.853 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -143.72 149.79 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.898 0.349 . . . . 0.0 111.213 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -119.99 146.39 24.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.128 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 137' ' ' ASN . . . . . 0.486 ' HB3' ' CE1' ' B' ' 99' ' ' TYR . 27.3 p-10 -94.28 133.91 37.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 138' ' ' TYR . . . . . 0.436 ' CE2' ' HA2' ' B' ' 98' ' ' GLY . 43.8 p90 -69.36 -17.2 63.67 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -54.06 -53.18 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.564 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -60.73 -48.26 82.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -60.0 -42.92 95.3 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.42 -42.4 93.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -67.58 -37.92 83.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.207 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 82.9 mtp -67.79 -43.38 79.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.32 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 19.8 ptp -71.69 -18.31 62.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.8 p -91.46 -17.43 25.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.813 0.34 . . . . 0.0 111.263 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.15 -0.05 50.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.561 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 40.0 mttm . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.867 179.53 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.49 ' HA3' ' HD2' ' B' ' 94' ' ' LYS . . . . . . . . 0 N--CA 1.444 -0.798 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -27.34 69.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.99 0.424 . . . . 0.0 111.499 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.541 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 23.0 ptmt -63.92 -19.02 64.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.023 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -67.23 -30.21 70.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.96 0.41 . . . . 0.0 110.695 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.3 tpt -64.02 -52.95 57.08 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.324 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.462 HD12 ' CE1' ' A' ' 98' ' ' TYR . 40.6 mt -67.18 -34.32 77.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.22 -50.2 74.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.446 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -66.67 -43.53 84.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.62 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -61.28 -49.24 77.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.514 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.7 t -66.82 -41.96 86.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.652 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -64.08 -34.79 78.84 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.875 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.39 -16.72 64.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.227 0.537 . . . . 0.0 110.872 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.8 mmt -93.33 -39.06 11.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.693 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 p -77.81 -22.92 49.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.763 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -10.75 27.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.044 0.45 . . . . 0.0 111.41 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -81.36 -11.36 59.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.411 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -104.55 -169.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.307 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -135.08 150.76 50.3 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 74.51 -12.56 0.89 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.086 0.47 . . . . 0.0 110.829 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.1 t -115.65 90.43 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.069 0.461 . . . . 0.0 111.317 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -118.31 133.54 55.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.792 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.6 mt -88.39 104.84 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.249 0.547 . . . . 0.0 111.719 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -103.09 -48.53 4.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.295 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -142.78 145.06 32.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.119 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -61.66 -20.05 62.99 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 m -107.47 -41.17 5.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.773 0.32 . . . . 0.0 111.588 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -74.59 -29.99 61.53 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -97.79 -9.09 27.13 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -107.56 9.48 29.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.807 0.337 . . . . 0.0 111.551 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -71.89 -31.97 66.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.442 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.52 -29.31 56.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.35 -15.47 61.18 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.351 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.441 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 94.1 mmm -61.12 -24.59 66.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.809 0.338 . . . . 0.0 111.725 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.65 81.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.435 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -65.44 -50.82 63.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.971 0.415 . . . . 0.0 110.78 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -62.53 -35.59 79.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.44 -179.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.42 97.48 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.801 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.1 tp -72.19 -42.55 65.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.34 -42.2 94.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.955 0.407 . . . . 0.0 110.399 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -65.94 -24.59 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.879 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.12 -36.22 81.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.219 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' O ' ' HD3' ' A' ' 47' ' ' PRO . 90.4 m-85 -98.8 -40.88 7.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.776 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -111.56 95.22 26.25 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.781 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' A' ' 45' ' ' PHE . 13.5 Cg_exo -71.81 -27.7 17.62 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.848 2.365 . . . . 0.0 111.97 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -82.19 -11.5 58.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.51 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.622 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -55.67 -61.14 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.93 0.395 . . . . 0.0 111.483 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -167.0 154.94 9.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.535 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -80.23 121.26 25.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.943 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -73.81 -27.52 61.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.303 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.5 -22.21 57.35 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.158 0.504 . . . . 0.0 110.413 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -91.6 4.34 52.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.79 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.5 mt -101.39 138.49 38.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.431 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.409 ' OD2' ' HB3' ' A' ' 58' ' ' ALA . 4.0 p-10 -122.69 152.5 62.16 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.621 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 56' ' ' ASP . 24.5 Cg_exo -63.68 -27.96 68.87 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.011 2.474 . . . . 0.0 114.357 -178.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.409 ' HB3' ' OD2' ' A' ' 56' ' ' ASP . . . -65.69 -33.62 76.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.951 0.405 . . . . 0.0 110.823 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -84.88 29.27 0.64 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.726 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -53.29 -34.32 56.86 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.628 ' HG2' HG21 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -66.18 -39.56 89.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.119 0.485 . . . . 0.0 110.464 179.544 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -79.78 -33.1 40.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.835 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -59.87 -50.64 72.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.502 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.527 ' CB ' HG13 ' A' ' 83' ' ' VAL . 6.3 m-85 -57.87 -47.34 83.02 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.978 178.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.451 ' OG1' HG11 ' A' ' 83' ' ' VAL . 14.3 m -59.77 -48.62 80.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.758 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.6 tp -60.3 -46.47 89.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.405 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.26 -50.65 69.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.31 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -59.69 -46.96 87.48 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.457 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 16.9 p -63.79 -48.98 74.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.722 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.622 HG21 ' HB1' ' A' ' 49' ' ' ALA . 13.3 m -62.34 -34.39 76.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.343 . . . . 0.0 110.815 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.61 73.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.123 0.487 . . . . 0.0 110.193 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 76' ' ' ASP . 46.9 tt0 -87.11 -38.38 16.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.002 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 69' ' ' SER . 29.8 mmtp -69.72 -33.48 72.54 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 74.0 mt -107.0 -34.96 7.02 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.57 -5.32 17.61 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.42 ' HA ' ' O ' ' A' ' 72' ' ' GLU . 19.9 m-20 61.98 28.27 17.16 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.456 0.472 . . . . 0.0 111.741 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.0 t -62.7 159.74 15.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.009 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.82 131.51 44.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.902 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -76.59 84.71 3.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.001 0.429 . . . . 0.0 110.144 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 82.7 mt -86.88 -10.75 52.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.522 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.9 mt -135.5 154.51 51.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.124 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.14 142.18 34.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.867 0.365 . . . . 0.0 110.776 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.527 HG13 ' CB ' ' A' ' 64' ' ' PHE . 78.9 t -60.14 -58.93 5.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.499 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.68 -37.38 78.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.651 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.03 -50.52 71.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.436 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.3 mtp -62.86 -37.38 86.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.5 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.628 HG21 ' HG2' ' A' ' 61' ' ' ARG . 69.4 t -66.85 -41.21 87.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.861 0.363 . . . . 0.0 110.289 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -66.18 -50.41 64.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.909 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.03 -42.97 88.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . 70.15 -5.05 1.38 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.448 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.4 t -137.16 102.08 9.12 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -80.88 156.38 20.6 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.535 2.157 . . . . 0.0 112.286 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.45 ' OD2' ' HB3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -87.66 135.78 33.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 179.574 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.1 m -58.56 -37.22 75.27 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.45 ' HB3' ' OD2' ' A' ' 93' ' ' ASP . 38.9 ttmt -64.56 -50.09 68.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.325 . . . . 0.0 111.023 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 33.9 m -60.94 -43.85 98.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.007 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 101' ' ' ILE . 91.4 t -64.25 -39.82 86.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.525 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.541 ' CE1' ' HA ' ' A' ' 6' ' ' LYS . 46.6 t80 -58.35 -45.01 88.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.3 m -65.14 -38.49 90.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.351 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -62.55 -44.26 96.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.602 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 97' ' ' VAL . 47.3 mm -69.18 -36.88 75.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.469 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -54.55 42.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.386 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -62.16 -33.87 75.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 57.9 tp -67.18 -47.98 69.32 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -60.6 -43.75 97.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.613 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -55.03 -46.77 75.3 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.247 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.9 m -67.18 -41.76 85.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.536 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 78.4 mt -61.96 -38.35 88.19 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.809 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 51.3 t -69.35 -42.74 81.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -38.24 84.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.989 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -83.54 -7.99 59.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.249 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.31 30.57 66.95 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.553 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 61.0 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 120.915 0.388 . . . . 0.0 111.207 -179.571 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 22.7 tt0 . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.97 0.414 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' B' ' 83' ' ' GLU . 30.5 mp0 -56.55 -40.98 76.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.574 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -60.86 -41.64 96.28 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.053 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.16 -48.08 89.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.409 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 37.8 mtp85 -62.76 -40.99 99.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.474 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.536 ' O ' HG23 ' B' ' 91' ' ' VAL . 32.6 tp10 -60.89 -48.76 80.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.705 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.01 74.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.137 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -67.97 -34.28 76.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.929 0.395 . . . . 0.0 111.495 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -66.51 -34.79 78.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.406 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 87' ' ' GLU . 64.3 t -69.07 -29.67 43.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.295 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -72.98 -25.81 61.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -85.57 158.69 20.07 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.49 ' HD2' ' HA3' ' A' ' 4' ' ' GLY . 59.6 mttt -128.45 -0.1 5.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.909 0.385 . . . . 0.0 111.399 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.95 -38.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.235 0.54 . . . . 0.0 110.256 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.38 57.19 0.72 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -117.18 -32.44 5.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.852 0.358 . . . . 0.0 110.69 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 88.51 15.26 60.39 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.172 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -96.98 116.31 28.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.697 0.284 . . . . 0.0 111.397 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.4 pt -139.13 157.67 28.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.147 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.99 172.37 9.17 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . 0.608 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -60.59 -34.84 74.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.0 -55.83 29.88 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.334 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.559 ' O ' HG23 ' B' ' 108' ' ' VAL . 2.3 mp0 -59.93 -50.48 73.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.696 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 24.1 tp -52.54 -50.92 61.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.955 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.517 ' HG3' HG11 ' B' ' 121' ' ' VAL . 13.0 ttt180 -60.22 -41.41 93.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.36 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -68.23 -36.58 79.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.758 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 104' ' ' GLU . 97.0 t -63.4 -48.59 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.693 0.282 . . . . 0.0 110.443 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 78.5 mtp -58.01 -41.35 82.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.804 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.91 -34.4 64.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.915 0.388 . . . . 0.0 111.397 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -74.82 -19.81 60.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 111.221 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.55 -18.6 62.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.251 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.4 -0.66 40.17 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.199 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -61.27 123.63 18.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.733 0.301 . . . . 0.0 110.676 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -91.57 33.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.623 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.535 HD11 HG22 ' B' ' 121' ' ' VAL . 2.1 pt? -79.44 148.22 32.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.191 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.85 154.79 41.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.159 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -35.78 79.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.281 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -65.85 -31.72 72.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.154 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.08 -44.77 91.36 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.535 HG22 HD11 ' B' ' 116' ' ' LEU . 4.0 t -64.87 -45.41 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.393 179.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -47.92 83.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.134 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -63.53 -39.73 95.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.58 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 70.7 mtm -68.89 -36.32 77.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.093 0.473 . . . . 0.0 110.389 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.797 HG23 HD12 ' B' ' 130' ' ' ILE . 31.2 mt -66.03 -31.96 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -75.99 -6.96 53.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.786 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -98.85 -1.74 39.48 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -115.7 160.78 19.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.058 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -82.99 59.41 4.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.604 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.797 HD12 HG23 ' B' ' 125' ' ' ILE . 44.8 mt -94.81 -54.01 7.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.322 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -73.65 124.27 25.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.057 0.456 . . . . 0.0 111.306 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.22 3.14 65.48 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.632 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.52 -72.89 0.66 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.603 0.24 . . . . 0.0 111.484 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 157.15 -104.98 0.26 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.236 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -104.74 155.18 19.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.728 0.299 . . . . 0.0 110.199 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 136' ' ' VAL . . . . . 0.498 HG11 HG12 ' B' ' 130' ' ' ILE . 16.3 m -127.65 173.39 13.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.162 0.506 . . . . 0.0 111.227 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 137' ' ' ASN . . . . . 0.502 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 20.8 p-10 -101.39 137.27 39.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.885 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 138' ' ' TYR . . . . . 0.482 ' O ' HG23 ' B' ' 142' ' ' VAL . 54.9 p90 -67.9 -17.14 64.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' B' ' 143' ' ' GLN . 10.1 mt-10 -55.19 -42.11 72.82 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.12 -49.54 76.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.961 0.41 . . . . 0.0 111.062 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -65.11 -30.96 71.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.99 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 138' ' ' TYR . 70.3 t -64.38 -44.39 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 143' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' B' ' 139' ' ' GLU . 83.3 mt-30 -66.06 -38.02 87.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.151 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 57.2 mtt -66.09 -46.42 77.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.467 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 62.2 mtm -60.89 -36.12 78.42 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.2 p -79.65 -5.31 54.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.173 0.511 . . . . 0.0 111.562 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -117.38 11.95 14.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.207 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 73.6 tttt . . . . . 0 C--O 1.248 1.011 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.84 -179.711 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.835 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -29.21 70.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.025 0.44 . . . . 0.0 111.39 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.495 ' HB2' ' HB2' ' B' ' 94' ' ' LYS . 11.4 ttmm -65.04 -27.56 68.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.08 -36.62 83.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.05 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -62.63 -51.58 66.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.231 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 9' ' ' LEU . 18.8 mt -62.37 -36.68 83.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.2 tp -64.41 -46.6 82.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.434 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -61.17 -43.9 98.15 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.966 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -60.36 -52.86 63.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.79 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.4 m -67.51 -47.78 68.98 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -58.08 -37.01 73.67 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.16 90.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.018 0.437 . . . . 0.0 110.677 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.0 mtt -81.63 -22.67 37.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.329 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.5 m -64.24 -29.9 70.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.228 0.537 . . . . 0.0 110.64 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -67.94 -8.5 37.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.829 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.9 -3.49 59.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.962 0.41 . . . . 0.0 110.377 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -121.22 -174.62 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.761 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.08 150.25 50.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.509 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 69.35 8.45 6.8 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.724 0.64 . . . . 0.0 111.921 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.8 t -120.41 117.35 53.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -131.03 103.61 6.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.28 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.687 ' HA ' ' HB3' ' A' ' 31' ' ' SER . 72.1 mt -92.83 104.65 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.86 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -101.8 -34.46 9.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.857 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -148.75 165.54 31.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.391 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.451 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 77.1 m-85 -87.58 68.57 9.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.819 0.342 . . . . 0.0 110.823 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.3 p -167.01 -91.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.592 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -37.46 82.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.191 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.687 ' HB3' ' HA ' ' A' ' 25' ' ' ILE . 12.2 m -69.16 -10.85 59.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.042 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.451 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 74.4 m95 -106.74 -3.65 20.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.149 -0.221 . . . . 0.0 111.503 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.8 m -67.87 -15.14 63.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.166 0.508 . . . . 0.0 111.235 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -20.41 58.5 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.69 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.29 -44.36 2.41 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.356 -0.449 . . . . 0.0 112.858 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.6 mmm -50.59 -31.75 16.79 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.477 0.711 . . . . 0.0 112.481 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.28 -38.69 71.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -66.27 -52.11 50.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.024 0.44 . . . . 0.0 110.738 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 66.6 m -64.57 -32.97 74.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.617 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.18 87.64 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 110.672 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.3 tp -64.3 -48.29 76.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.572 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.1 mm -60.07 -41.42 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.006 0.431 . . . . 0.0 110.839 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -64.79 -21.79 66.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.533 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -34.56 64.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.732 0.301 . . . . 0.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.506 ' HB3' HD13 ' A' ' 113' ' ' LEU . 62.8 m-85 -92.97 -39.58 11.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -120.79 83.21 35.91 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.515 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -73.33 -15.43 25.21 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.674 2.25 . . . . 0.0 111.436 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -87.29 -2.36 58.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.009 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.596 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -72.24 -66.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.65 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -151.37 162.37 41.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.504 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -84.57 125.97 32.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.373 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.404 ' HA ' HD12 ' A' ' 55' ' ' LEU . 65.0 t80 -74.38 -29.7 61.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.752 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.11 -21.07 60.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.762 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -88.82 2.31 53.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.91 0.386 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 52' ' ' TYR . 80.2 mt -92.88 102.02 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.098 0.475 . . . . 0.0 110.376 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.823 ' H ' ' HD2' ' A' ' 59' ' ' LYS . 4.0 m-20 -88.23 152.44 50.29 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.523 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 15.8 Cg_endo -59.57 -24.01 73.4 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.047 2.498 . . . . 0.0 112.311 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.16 -11.25 58.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.044 0.45 . . . . 0.0 110.768 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.823 ' HD2' ' H ' ' A' ' 56' ' ' ASP . 82.2 mttt -97.8 23.76 7.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.114 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 57' ' ' PRO . 46.5 mtm180 -55.26 -40.89 71.51 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -62.73 -45.47 92.56 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -70.42 -30.9 67.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.245 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -59.91 -51.9 67.74 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.825 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.478 ' HB2' HG13 ' A' ' 83' ' ' VAL . 37.6 m-85 -58.65 -45.5 89.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.876 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -62.82 -43.72 98.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.51 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 tp -59.59 -49.56 77.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.969 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.49 -52.07 66.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.96 -179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -67.15 -54.85 17.4 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.7 m -60.3 -39.48 87.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.596 HG21 ' HB1' ' A' ' 49' ' ' ALA . 9.1 m -72.85 -43.52 62.51 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.295 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.25 93.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.309 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.96 -37.56 86.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.309 0.576 . . . . 0.0 110.185 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -71.97 -29.15 63.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.567 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -92.38 -50.82 5.44 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.86 19.5 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 40.02 62.77 1.19 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 23.3 p -75.43 146.94 40.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.718 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.09 114.58 8.39 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -72.27 78.42 0.99 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.261 0.553 . . . . 0.0 111.23 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.6 mt -91.71 10.88 26.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 mt -142.06 138.06 31.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.6 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -107.38 138.49 43.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.081 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.478 HG13 ' HB2' ' A' ' 64' ' ' PHE . 47.0 t -57.73 -58.33 6.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.376 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.64 -47.27 70.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.96 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.79 -45.24 93.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.694 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 82.1 mtp -65.31 -39.11 92.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' VAL . 87.4 t -69.22 -36.69 73.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.085 0.469 . . . . 0.0 109.995 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -67.21 -48.64 67.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.517 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.7 mt -78.05 -33.66 50.85 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 75.06 -50.36 0.66 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.523 0.729 . . . . 0.0 111.626 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 43.7 t -101.35 109.27 58.38 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 6.1 Cg_exo -75.26 173.93 13.66 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.847 2.364 . . . . 0.0 111.259 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.515 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 16.1 t70 -94.6 144.72 25.37 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.971 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m -63.4 -35.71 81.3 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -68.55 -38.94 81.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.946 0.403 . . . . 0.0 110.702 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 27.5 m -65.6 -48.14 73.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.01 -43.09 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -56.18 -48.52 76.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.4 m -68.04 -37.55 81.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.723 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.24 -46.53 86.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.051 0.453 . . . . 0.0 110.673 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 51.2 mm -71.66 -31.18 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.137 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -55.91 -58.29 8.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.961 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.92 -34.63 78.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.477 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 37.5 tp -61.86 -45.77 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.994 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.541 ' O ' HG23 ' A' ' 109' ' ' VAL . 42.3 t80 -59.11 -46.58 87.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.851 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -57.61 -40.94 80.27 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.194 0.521 . . . . 0.0 110.99 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 m -67.54 -26.32 66.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.803 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 28.7 mt -88.57 -21.09 24.25 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 105' ' ' TYR . 68.8 t -64.49 -56.4 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.541 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.64 -16.59 63.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.884 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -87.7 -13.87 41.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.97 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 77.62 8.84 87.16 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.995 -0.621 . . . . 0.0 113.052 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.506 HD13 ' HB3' ' A' ' 45' ' ' PHE . 75.5 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 110.991 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.762 0.315 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' B' ' 83' ' ' GLU . 40.0 mp0 -58.46 -49.68 76.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.702 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -58.29 -39.4 79.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.629 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 49.5 mt -63.1 -48.08 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.975 0.417 . . . . 0.0 109.935 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.764 ' HG2' ' HE2' ' B' ' 138' ' ' TYR . 62.2 mtp180 -69.84 -33.14 71.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.057 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.461 ' O ' HG23 ' B' ' 91' ' ' VAL . 3.1 tp10 -63.66 -38.93 92.99 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.09 95.72 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.025 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -68.33 -34.6 76.41 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -66.38 -23.89 66.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.444 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 87' ' ' GLU . 96.5 t -64.75 -33.21 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -76.42 -42.2 44.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.556 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -62.46 152.03 35.59 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -124.39 -0.83 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -134.21 -13.26 2.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.58 53.69 3.73 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -107.47 -31.35 8.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.892 0.377 . . . . 0.0 110.799 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 87.44 11.92 68.12 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.783 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -116.43 121.95 43.37 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.937 0.399 . . . . 0.0 111.073 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.2 pt -136.07 -173.95 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.685 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 60.6 p -106.0 172.19 6.94 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . 0.757 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -67.81 -29.55 68.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.156 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.98 -51.88 66.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.195 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.511 ' O ' HG23 ' B' ' 108' ' ' VAL . 4.0 mp0 -67.31 -41.28 85.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.007 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.41 -54.11 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.081 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -70.14 -6.16 32.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -96.6 -13.48 22.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.201 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 104' ' ' GLU . 60.4 t -78.19 -56.45 7.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.4 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -56.04 -38.76 70.99 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.414 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.35 -35.25 75.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.071 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -77.81 -27.42 50.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.952 0.406 . . . . 0.0 110.752 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.24 -25.42 62.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.254 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.99 10.0 50.46 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.541 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.79 128.44 36.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.297 . . . . 0.0 110.965 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -76.43 66.64 2.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.669 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.439 HD23 HG22 ' B' ' 121' ' ' VAL . 15.1 tp -113.8 125.46 54.11 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.031 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . 0.427 ' O ' HG23 ' B' ' 121' ' ' VAL . 10.7 p -70.3 148.42 48.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -60.09 -25.88 65.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.082 0.467 . . . . 0.0 110.297 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.09 -48.26 79.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.049 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -67.75 -38.21 83.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.554 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.439 HG22 HD23 ' B' ' 116' ' ' LEU . 57.5 t -61.54 -45.31 98.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -33.87 76.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.977 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.41 -44.21 79.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.135 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 67.5 mtt -63.82 -43.3 96.65 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.257 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.765 HG23 HD12 ' B' ' 130' ' ' ILE . 38.3 mt -61.83 -31.41 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.993 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -28.23 39.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.548 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -69.97 -41.58 74.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.392 . . . . 0.0 110.191 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.42 154.18 22.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.453 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -78.25 85.37 4.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.348 0.594 . . . . 0.0 111.343 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.913 HG12 HG11 ' B' ' 136' ' ' VAL . 27.3 mt -107.37 -57.64 4.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.766 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.33 125.2 25.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.856 0.36 . . . . 0.0 110.7 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.06 -22.91 30.39 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.385 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -91.47 -79.22 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.205 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 130.08 -34.38 2.74 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.019 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -134.21 122.17 22.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.959 0.379 . . . . 0.0 111.045 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 136' ' ' VAL . . . . . 0.913 HG11 HG12 ' B' ' 130' ' ' ILE . 9.7 m -118.28 136.25 56.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.29 0.567 . . . . 0.0 112.301 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 137' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 0.3 OUTLIER -82.01 127.6 33.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.98 179.398 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 138' ' ' TYR . . . . . 0.764 ' HE2' ' HG2' ' B' ' 86' ' ' ARG . 29.4 p90 -67.91 -16.53 64.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.095 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -47.95 -56.56 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -54.22 -41.66 68.92 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -66.76 -39.45 87.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.857 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.38 -48.39 81.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.403 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -59.78 -41.78 91.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.764 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 1.4 ttm -59.59 -44.74 93.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.199 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 67.2 mtm -63.35 -43.47 97.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.376 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 4.4 m -68.99 -17.41 63.92 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.022 0.439 . . . . 0.0 111.335 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.22 -7.4 48.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.07 0.462 . . . . 0.0 111.019 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.142 179.899 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.626 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.492 ' H ' ' HZ2' ' B' ' 94' ' ' LYS . 0.9 OUTLIER -63.17 -35.16 79.38 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 122.594 0.357 . . . . 0.0 111.383 -179.265 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -64.29 -36.99 85.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.916 0.389 . . . . 0.0 110.481 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -75.32 -32.64 61.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -58.52 -51.71 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.927 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.8 mt -68.38 -34.79 76.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.452 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.6 tp -60.94 -49.41 77.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.649 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -62.61 -42.69 99.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.97 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -56.54 -49.87 73.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.077 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.8 m -70.89 -37.0 72.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.671 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -58.46 -35.14 71.7 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.56 -37.32 85.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.114 0.483 . . . . 0.0 110.622 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.1 mtt -77.72 -25.62 49.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.725 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -65.17 -26.35 68.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.134 0.492 . . . . 0.0 110.473 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -73.87 -3.85 31.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.77 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -102.19 -11.22 18.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.381 . . . . 0.0 111.405 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -104.4 -175.01 2.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.415 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -135.28 143.82 46.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.669 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 68.03 19.06 9.4 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.651 0.594 . . . . 0.0 111.395 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.4 t -125.83 126.25 69.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.32 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -140.97 114.44 8.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.791 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.608 ' HA ' ' HB3' ' A' ' 31' ' ' SER . 66.2 mt -99.25 111.89 30.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.849 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -95.25 -42.28 8.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.434 0.635 . . . . 0.0 109.429 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -157.35 -176.74 6.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.609 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.44 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 72.0 m-85 -90.8 56.69 3.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.857 0.361 . . . . 0.0 110.677 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 p -151.93 -94.53 0.05 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -35.22 70.29 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -178.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.608 ' HB3' ' HA ' ' A' ' 25' ' ' ILE . 1.0 OUTLIER -66.78 -14.26 62.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.909 0.385 . . . . 0.0 111.887 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.72 ' HB2' ' HG2' ' A' ' 92' ' ' PRO . 33.0 m95 -107.65 4.1 25.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.416 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.0 m -72.44 -15.72 61.82 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.029 0.442 . . . . 0.0 111.174 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -16.47 31.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.83 -36.93 2.66 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.22 -0.515 . . . . 0.0 112.749 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 mmt -46.68 -37.67 8.68 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.07 -34.81 61.08 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -69.1 -53.79 18.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.843 0.354 . . . . 0.0 110.681 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 m -62.83 -33.07 74.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.795 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.78 -46.05 92.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.554 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.63 -45.69 78.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.695 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.7 mm -62.48 -43.23 98.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.029 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -63.17 -30.49 71.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.652 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -68.47 -41.55 79.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.022 0.439 . . . . 0.0 110.661 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -84.23 -35.5 23.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.984 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -121.99 93.49 48.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 120.837 0.351 . . . . 0.0 111.487 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -72.72 -13.66 27.01 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.904 2.402 . . . . 0.0 110.935 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -93.65 -1.85 54.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.887 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.735 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -68.08 -61.08 2.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.855 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -165.9 164.7 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.531 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -88.85 113.76 24.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -65.94 -24.44 66.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.463 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.22 -21.33 61.41 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -94.9 4.37 53.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.43 0.633 . . . . 0.0 110.79 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -93.15 125.63 37.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.918 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.524 ' H ' ' HD2' ' A' ' 59' ' ' LYS . 8.2 m-20 -116.24 150.37 45.16 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.363 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.82 -22.54 74.56 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.018 2.478 . . . . 0.0 111.98 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.68 -21.18 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.391 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.524 ' HD2' ' H ' ' A' ' 56' ' ' ASP . 67.5 mttt -98.11 50.95 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -62.27 -47.16 85.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.998 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -61.85 -44.56 96.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.133 0.492 . . . . 0.0 110.205 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -35.14 79.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.77 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -60.08 -50.11 75.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.444 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.46 ' HB2' HG13 ' A' ' 83' ' ' VAL . 45.0 m-85 -63.4 -44.19 95.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.578 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.2 m -60.36 -53.57 55.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.739 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.6 tp -56.39 -46.81 79.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.539 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.05 -55.94 28.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.76 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -60.82 -49.72 76.34 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.0 m -59.92 -43.04 95.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.735 HG21 ' HB1' ' A' ' 49' ' ' ALA . 22.5 m -68.71 -40.29 80.03 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.15 77.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.902 0.382 . . . . 0.0 110.314 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -74.13 -42.02 60.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.371 0.605 . . . . 0.0 110.217 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.47 -43.96 62.98 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.9 mt -96.48 -28.02 14.61 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.12 0.13 12.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 45.26 43.05 7.76 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 16.6 p -85.51 153.54 22.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.076 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.53 145.55 39.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.894 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -103.22 89.86 3.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.803 0.335 . . . . 0.0 111.452 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.83 -12.97 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.355 0.598 . . . . 0.0 110.654 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.6 mt -122.03 140.27 52.69 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -111.96 142.28 44.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.131 0.491 . . . . 0.0 111.66 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.46 HG13 ' HB2' ' A' ' 64' ' ' PHE . 40.1 t -52.37 -49.39 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.137 -179.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -38.18 78.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -33.74 32.96 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.133 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.4 mtp -65.12 -45.75 83.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.693 0.282 . . . . 0.0 111.697 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 83' ' ' VAL . 39.3 t -69.0 -25.42 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.234 0.54 . . . . 0.0 110.626 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 88' ' ' ARG . 34.3 ttp180 -81.86 -49.44 10.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.694 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 70.5 mt -71.41 -39.78 70.9 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.448 ' O ' ' HD3' ' A' ' 92' ' ' PRO . . . 74.61 -44.22 0.55 Allowed 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.737 0.648 . . . . 0.0 112.397 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.43 106.34 35.41 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.72 ' HG2' ' HB2' ' A' ' 32' ' ' TRP . 11.6 Cg_exo -72.19 157.96 52.9 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.069 2.513 . . . . 0.0 112.521 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.81 132.42 33.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.573 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.6 m -57.51 -38.1 74.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.419 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.417 ' HA ' ' OD1' ' B' ' 95' ' ' ASP . 56.6 tttp -71.43 -50.8 28.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.935 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 85.8 m -56.84 -45.38 82.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.199 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.4 ' O ' HG12 ' A' ' 101' ' ' ILE . 91.4 t -64.71 -42.93 96.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.982 0.42 . . . . 0.0 109.968 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.44 -48.83 79.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.5 m -60.01 -36.12 76.53 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 111.188 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -65.7 -49.49 68.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.119 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 97' ' ' VAL . 48.3 mm -66.93 -32.59 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.033 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -57.85 -56.73 18.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.187 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.29 -36.12 82.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 58.2 tp -64.0 -42.44 97.18 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.51 ' O ' HG23 ' A' ' 109' ' ' VAL . 67.2 t80 -58.75 -42.52 89.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.846 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.867 ' HD2' ' HE2' ' B' ' 99' ' ' TYR . 32.6 mtp180 -56.66 -51.5 68.49 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.983 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.0 m -62.19 -41.82 98.71 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.071 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 96.3 mt -63.38 -36.86 85.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.382 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 105' ' ' TYR . 92.3 t -73.79 -46.21 47.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.244 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -66.07 -27.63 68.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.903 0.382 . . . . 0.0 111.942 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -87.51 3.6 46.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.982 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 63.68 31.81 82.04 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.958 -0.564 . . . . 0.0 113.516 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 98.0 mt . . . . . 0 C--N 1.324 -0.504 0 CA-C-O 120.857 0.36 . . . . 0.0 110.868 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.56 -31.82 68.34 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.141 0.496 . . . . 0.0 110.343 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 40.1 mp0 -60.53 -32.53 71.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.482 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.69 -41.53 13.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.1 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 86' ' ' ARG . 16.3 ttp85 -59.91 -46.79 88.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.939 -179.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.537 ' O ' HG23 ' B' ' 91' ' ' VAL . 35.3 mt-10 -64.46 -41.48 96.49 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.59 91.68 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.627 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -65.81 -36.1 82.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.663 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 33.7 ttt-85 -69.53 -24.57 63.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 87' ' ' GLU . 84.4 t -66.38 -25.17 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.324 0.583 . . . . 0.0 109.678 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -82.47 -21.42 35.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.3 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -75.35 118.59 18.41 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.492 ' HZ2' ' H ' ' A' ' 5' ' ' SER . 11.2 mttt -102.17 3.39 38.37 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -177.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . 0.417 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 1.2 m-20 -129.92 -30.29 2.03 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.551 -0.46 . . . . 0.0 112.236 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.56 73.72 1.23 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.05 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -156.61 -14.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.65 0.262 . . . . 0.0 111.678 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' GLY . . . . . 0.592 ' HA2' ' HE2' ' B' ' 138' ' ' TYR . . . 89.9 9.1 66.38 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.869 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' TYR . . . . . 0.867 ' HE2' ' HD2' ' A' ' 106' ' ' ARG . 22.5 m-85 -102.17 126.54 49.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.408 -0.396 . . . . 0.0 110.509 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 16.4 pt -133.68 176.92 7.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.147 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.09 159.06 16.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.141 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.95 -20.37 65.88 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.97 -58.54 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.856 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.619 ' O ' HG23 ' B' ' 108' ' ' VAL . 3.5 mp0 -68.84 -31.2 69.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 43.0 tp -52.54 -51.87 57.59 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.391 0.432 . . . . 0.0 111.778 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -68.56 -25.78 65.07 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.999 0.428 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -76.1 -25.39 55.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.081 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.619 HG23 ' O ' ' B' ' 104' ' ' GLU . 55.3 t -66.72 -47.26 83.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 72.9 mtp -62.19 -39.82 94.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.395 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.29 -38.39 68.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.153 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.15 -37.76 81.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.23 -21.49 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.047 0.451 . . . . 0.0 110.91 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.96 36.67 7.6 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.332 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . 0.462 ' HA ' ' OE1' ' B' ' 114' ' ' GLU . 3.7 mm-40 -71.07 146.79 49.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.7 0.286 . . . . 0.0 110.365 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -95.75 14.98 21.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.101 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 tp -76.33 133.51 39.96 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . 0.403 ' O ' HG23 ' B' ' 121' ' ' VAL . 54.4 p -69.55 155.93 39.7 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.785 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.77 -31.58 69.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.075 0.464 . . . . 0.0 110.051 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.582 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 42.9 mm-40 -65.69 -46.61 78.37 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.905 178.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -60.5 -38.31 83.92 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.802 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 117' ' ' THR . 57.5 t -62.95 -46.73 95.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -36.22 82.86 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.188 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 47.0 mt-10 -60.64 -44.46 96.37 Favored 'General case' 0 N--CA 1.458 -0.068 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.936 178.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 50.5 mtt -66.07 -39.1 89.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.778 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.872 HG23 HD12 ' B' ' 130' ' ' ILE . 67.2 mt -57.85 -40.98 78.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.123 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -76.67 -17.69 58.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.976 -0.557 . . . . 0.0 112.014 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' B' ' 123' ' ' GLU . 77.1 mm-40 -82.97 -36.92 24.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.064 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.9 -165.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.566 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -112.73 108.79 17.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.237 0.541 . . . . 0.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.872 HD12 HG23 ' B' ' 125' ' ' ILE . 52.1 mt -134.8 -72.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.606 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -71.04 130.57 41.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.062 0.458 . . . . 0.0 110.283 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . 0.433 ' HA2' HG12 ' A' ' 109' ' ' VAL . . . 82.32 6.91 88.31 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.753 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.05 -13.21 9.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.88 0.371 . . . . 0.0 111.592 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 134' ' ' GLY . . . . . 0.64 ' HA3' ' HA ' ' A' ' 106' ' ' ARG . . . 99.83 -95.11 1.44 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.558 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . 0.412 ' HB2' ' HD2' ' B' ' 99' ' ' TYR . 15.1 mm100 -110.52 167.62 10.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -112.31 148.6 15.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.366 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -107.11 150.58 26.41 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 138' ' ' TYR . . . . . 0.592 ' HE2' ' HA2' ' B' ' 98' ' ' GLY . 25.2 p90 -93.11 -14.43 27.26 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.75 -47.4 84.79 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -63.22 -40.92 98.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.926 0.393 . . . . 0.0 111.045 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -66.39 -42.95 87.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.243 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 77.0 t -61.36 -47.01 95.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.695 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -58.72 -43.09 90.05 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.061 0.458 . . . . 0.0 110.61 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 47.1 ttp -65.01 -36.72 85.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 25.7 ttm -69.7 -42.02 74.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.463 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 2.9 p -72.78 -34.63 67.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.88 0.371 . . . . 0.0 111.905 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.83 75.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.569 -179.839 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' B' ' 92' ' ' PHE . . . . . . . . 0 N--CA 1.447 -0.625 0 N-CA-C 112.682 -0.167 . . . . 0.0 112.682 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 p -68.8 -32.46 72.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.184 0.516 . . . . 0.0 110.985 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -62.78 -31.86 72.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.638 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -61.42 -36.36 80.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.757 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.8 ttt -58.95 -52.1 67.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.652 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.47 -34.65 74.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.895 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.5 tp -60.1 -55.61 31.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.887 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -63.97 -36.52 84.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.802 0.334 . . . . 0.0 111.044 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -56.63 -51.56 68.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.761 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.8 m -75.18 -34.92 61.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.574 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.16 -39.67 72.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.303 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.542 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . . . -58.08 -46.73 84.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.887 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.6 ptp -78.93 -11.28 60.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.505 HG21 ' H ' ' A' ' 25' ' ' ILE . 23.9 m -70.44 -23.8 62.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.27 0.557 . . . . 0.0 109.858 179.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.542 ' NH1' ' HA ' ' A' ' 15' ' ' ALA . 33.0 mtt180 -80.7 -5.47 57.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.156 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -97.84 -18.4 18.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -104.9 158.98 16.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.279 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -114.21 150.13 34.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.247 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 71.21 17.15 6.07 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.607 0.567 . . . . 0.0 111.444 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -130.93 133.54 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.835 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -145.31 91.97 2.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.051 0.453 . . . . 0.0 110.51 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.505 ' H ' HG21 ' A' ' 17' ' ' THR . 61.8 mt -80.12 95.05 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.306 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -92.02 -41.93 10.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.389 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -150.96 152.21 33.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.672 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.552 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 67.2 m-85 -75.21 66.89 1.77 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.806 0.336 . . . . 0.0 111.618 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -166.1 -81.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.046 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.78 -30.03 66.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.509 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.408 ' HB3' ' HA ' ' A' ' 25' ' ' ILE . 2.1 m -82.65 -1.75 52.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.552 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 34.2 m95 -114.18 3.01 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.564 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -74.38 -14.87 60.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.193 0.52 . . . . 0.0 110.357 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -23.29 60.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.09 -44.83 2.89 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.019 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 78.0 mmm -50.06 -29.52 9.02 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.303 0.641 . . . . 0.0 112.681 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.33 -36.37 66.19 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -63.43 -53.18 56.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.948 0.404 . . . . 0.0 111.006 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 55.9 m -63.99 -34.89 79.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.458 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.01 98.04 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 110.576 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.51 -48.79 73.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.717 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.8 mm -61.8 -37.36 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.025 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -61.06 -26.16 67.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.098 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -72.68 -20.44 61.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.02 0.438 . . . . 0.0 111.417 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -108.44 -42.75 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.513 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -115.37 96.11 44.82 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.658 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.58 -36.68 10.82 Favored 'Trans proline' 0 CA--C 1.526 0.12 0 C-N-CA 122.568 2.179 . . . . 0.0 110.889 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -87.94 30.3 0.86 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.389 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.827 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -92.06 -49.04 6.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.387 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -167.69 172.7 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.634 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -98.19 115.8 29.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.783 0.325 . . . . 0.0 110.428 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.494 ' HA ' HD12 ' A' ' 55' ' ' LEU . 82.5 t80 -72.73 -27.61 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.852 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.32 -19.41 60.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.046 0.45 . . . . 0.0 110.27 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -91.12 -6.86 53.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.896 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 52' ' ' TYR . 84.0 mt -84.59 118.75 24.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.009 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.582 ' H ' ' HD2' ' A' ' 59' ' ' LYS . 1.4 m-20 -99.14 153.16 37.93 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.173 -179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -64.54 -20.79 66.03 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.518 2.145 . . . . 0.0 110.662 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.3 1.78 56.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.475 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HD2' ' H ' ' A' ' 56' ' ' ASP . 78.5 mttt -107.7 29.01 7.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.214 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 60' ' ' ARG . 39.1 mtm180 -59.03 -38.97 80.52 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.774 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -34.86 77.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.001 0.429 . . . . 0.0 110.393 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -82.69 -34.1 27.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.399 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -57.59 -49.58 75.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.812 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.639 ' HB2' HG13 ' A' ' 83' ' ' VAL . 31.1 m-85 -58.61 -54.24 49.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.076 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.513 HG23 HG21 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -61.6 -40.14 93.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.512 -179.755 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.51 -50.74 71.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.524 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.422 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -62.01 -50.15 73.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.222 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -58.93 -54.51 46.29 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -60.92 -38.1 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.827 HG21 ' HB1' ' A' ' 49' ' ' ALA . 38.2 m -69.46 -42.68 74.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.217 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.41 -39.74 89.17 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.516 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 76' ' ' ASP . 4.0 tm-20 -71.95 -21.18 61.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.082 0.467 . . . . 0.0 110.799 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -87.79 -48.44 7.83 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.0 mt -90.24 -45.12 9.28 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.736 ' HA ' ' HE3' ' A' ' 111' ' ' LYS . . . -95.23 -5.3 44.1 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 72' ' ' GLU . 4.6 p-10 42.97 50.67 5.32 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.1 p -78.74 172.71 13.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.462 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.7 125.42 40.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.756 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.401 ' HB2' HE21 ' A' ' 79' ' ' GLN . 13.7 mt-30 -74.64 82.26 2.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.9 mt -86.68 -4.44 59.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.79 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.44 152.06 51.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.834 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -114.01 146.88 39.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.101 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.639 HG13 ' HB2' ' A' ' 64' ' ' PHE . 56.8 t -63.42 -51.96 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.243 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.67 -42.65 83.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.79 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.36 -46.9 78.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.664 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 58.1 mtp -62.08 -37.61 85.71 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.8 t -72.85 -37.15 53.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.274 0.559 . . . . 0.0 110.049 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 88' ' ' ARG . 39.5 ttp180 -69.33 -46.45 67.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.582 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.36 -33.44 42.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.812 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 74.91 -51.52 0.67 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.347 0.659 . . . . 0.0 112.054 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.1 t -101.89 107.06 50.66 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.72 158.92 52.22 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.358 2.038 . . . . 0.0 111.773 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.469 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 26.7 t70 -84.83 130.03 34.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 m -55.49 -45.08 77.05 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -62.97 -36.22 82.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.85 0.357 . . . . 0.0 111.076 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 60.5 m -69.29 -43.16 74.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.95 0.405 . . . . 0.0 110.543 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 101' ' ' ILE . 59.1 t -68.45 -37.25 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.56 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -53.33 -51.68 61.63 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.326 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 m -66.63 -34.62 78.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.516 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -63.2 -50.26 70.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 109.996 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 97' ' ' VAL . 46.1 mm -65.46 -37.79 80.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.868 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 41.4 tt0 -58.44 -47.44 83.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.455 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -69.67 -45.32 68.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.767 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.1 tp -56.93 -42.22 79.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.476 ' O ' HG23 ' A' ' 109' ' ' VAL . 72.9 t80 -57.27 -42.67 82.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.717 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 58.1 mtp180 -59.7 -47.49 85.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.534 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.588 ' HA ' HE21 ' A' ' 110' ' ' GLN . 1.7 m -61.56 -41.86 98.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.24 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.8 mt -67.87 -25.81 65.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.476 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 105' ' ' TYR . 42.6 t -73.73 -54.4 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.851 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.588 HE21 ' HA ' ' A' ' 107' ' ' SER . 10.4 pt20 -65.4 -25.6 67.62 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.736 ' HE3' ' HA ' ' A' ' 75' ' ' ALA . 50.0 mttm -82.53 -7.43 59.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.793 0.33 . . . . 0.0 110.972 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.49 48.93 33.87 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.8 mt . . . . . 0 C--N 1.327 -0.409 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.77 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.458 ' HG3' HG21 ' B' ' 146' ' ' THR . 11.6 tt0 . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.73 -37.8 74.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.828 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -62.03 -42.28 99.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.95 0.405 . . . . 0.0 110.017 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 67.6 mt -64.98 -46.01 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.024 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 60.6 mtp85 -60.71 -45.58 93.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.515 ' O ' HG23 ' B' ' 91' ' ' VAL . 12.7 tp10 -66.25 -39.99 89.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.02 -48.16 70.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.897 0.38 . . . . 0.0 111.231 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -73.51 -31.37 63.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.081 0.467 . . . . 0.0 110.529 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -65.99 -33.15 75.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.021 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 87' ' ' GLU . 55.6 t -61.42 -35.68 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.954 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' PHE . . . . . 0.529 ' O ' ' HA2' ' A' ' 4' ' ' GLY . 20.4 m-85 -72.62 -29.17 63.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.254 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -81.3 120.21 24.64 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -101.72 5.17 41.23 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.49 -12.78 3.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.87 55.71 4.78 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.609 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -107.81 -35.39 6.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.937 0.399 . . . . 0.0 110.549 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 97.72 -9.71 64.27 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.718 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -107.3 120.22 41.53 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.866 0.365 . . . . 0.0 110.655 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 21.1 pt -124.69 173.95 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.099 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 25.8 p -86.93 160.98 18.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . 0.472 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -64.67 -30.44 71.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.62 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.38 -51.1 62.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.014 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.593 ' O ' HG23 ' B' ' 108' ' ' VAL . 3.3 mp0 -64.63 -45.59 86.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.615 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.76 -51.25 69.63 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.942 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.584 ' HG3' HG11 ' B' ' 121' ' ' VAL . 21.1 ttt180 -61.37 -31.93 71.84 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.065 0.46 . . . . 0.0 110.481 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -72.49 -37.28 68.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.631 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 104' ' ' GLU . 48.0 t -62.5 -46.19 96.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.541 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 87.7 mtp -56.6 -42.81 79.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.428 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.03 -38.76 56.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.658 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -65.05 -23.45 67.18 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.652 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 31.9 mt -78.55 -10.65 59.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.673 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.38 15.15 74.75 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.233 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -64.44 127.21 30.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.684 0.278 . . . . 0.0 110.622 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -78.75 82.43 4.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.467 ' HG ' ' HB2' ' B' ' 120' ' ' GLU . 11.4 tp -134.61 127.98 32.28 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.613 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.18 153.45 37.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.781 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -39.48 79.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.78 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -62.5 -36.23 81.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.945 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.467 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 66.5 mm-40 -60.68 -48.32 82.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.068 0.461 . . . . 0.0 109.83 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.584 HG11 ' HG3' ' B' ' 106' ' ' ARG . 26.3 t -64.5 -43.88 96.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.125 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -41.94 95.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.482 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' B' ' 127' ' ' GLU . 72.6 mt-10 -63.29 -42.86 99.11 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.731 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 60.1 mtt -63.37 -38.31 90.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.948 0.404 . . . . 0.0 110.18 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.582 HG23 HD12 ' B' ' 130' ' ' ILE . 81.7 mt -63.22 -35.85 73.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.167 0.508 . . . . 0.0 109.927 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -71.14 -17.06 62.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.533 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 123' ' ' GLU . 11.8 mt-10 -95.68 -22.66 17.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 111.195 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.48 156.18 18.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.012 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -80.17 50.39 1.23 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.028 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.905 HG12 HG21 ' B' ' 136' ' ' VAL . 61.1 mt -83.18 -49.38 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.262 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -74.82 126.68 31.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.917 0.389 . . . . 0.0 110.734 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.91 -0.45 55.11 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -125.34 -174.39 3.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.558 -0.321 . . . . 0.0 110.472 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -104.46 -60.5 0.67 Allowed Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.085 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -129.01 155.79 44.83 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 136' ' ' VAL . . . . . 0.905 HG21 HG12 ' B' ' 130' ' ' ILE . 11.4 t -127.59 146.86 32.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 137' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 24.2 p-10 -78.86 135.73 37.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.167 0.508 . . . . 0.0 111.243 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 138' ' ' TYR . . . . . 0.417 ' O ' HG23 ' B' ' 142' ' ' VAL . 38.8 p90 -79.27 -9.76 59.65 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.19 -54.91 37.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.885 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -56.03 -40.64 73.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -65.04 -46.24 82.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.713 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 138' ' ' TYR . 86.7 t -61.58 -42.37 93.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.249 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -64.95 -45.46 85.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.215 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 59.4 mtm -63.88 -39.96 95.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.985 0.422 . . . . 0.0 111.494 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 57.6 mtm -66.4 -33.11 74.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.8 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . 0.458 HG21 ' HG3' ' B' ' 82' ' ' GLU . 1.3 p -83.06 -13.5 55.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.996 0.427 . . . . 0.0 111.483 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -82.64 -23.12 34.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.351 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.573 -0.727 . . . . 0.0 110.287 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 111.689 -0.564 . . . . 0.0 111.689 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.91 -18.13 7.88 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.525 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 22.2 mt -80.93 79.87 7.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.063 0.459 . . . . 0.0 110.43 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.96 118.38 0.46 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.901 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.589 ' HB2' ' OH ' ' A' ' 98' ' ' TYR . 5.5 p -58.42 -44.56 89.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.184 0.516 . . . . 0.0 110.831 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -64.59 -25.03 67.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -70.97 -35.53 72.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.754 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.9 ttt -61.54 -50.65 71.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.807 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.8 mt -71.52 -29.31 64.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.933 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -59.99 -56.0 27.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.52 -34.94 79.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.7 t90 -60.12 -50.49 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.836 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 m -72.81 -36.12 67.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -63.74 -30.43 71.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.48 77.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.034 0.445 . . . . 0.0 110.211 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.4 mtt -82.67 -20.29 36.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.609 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -67.39 -23.96 65.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.318 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -76.38 -10.28 59.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.388 0.613 . . . . 0.0 110.458 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -106.96 15.47 25.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.232 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -138.45 164.57 29.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.45 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -127.54 158.57 37.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.844 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 68.76 7.12 5.94 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.442 0.639 . . . . 0.0 110.66 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.9 t -131.22 129.97 63.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.119 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' O ' ' HB3' ' A' ' 31' ' ' SER . 24.6 t0 -145.2 110.88 5.39 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.523 ' HA ' ' HB3' ' A' ' 31' ' ' SER . 56.0 mt -91.06 95.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.613 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -86.43 -38.14 17.63 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -151.92 159.23 43.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.619 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.423 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 87.0 m-85 -80.19 62.19 4.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.698 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -163.58 -86.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.275 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -59.49 -38.76 81.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.098 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.523 ' HB3' ' HA ' ' A' ' 25' ' ' ILE . 1.5 m -69.74 -10.09 57.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.423 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 64.7 m95 -105.75 3.82 29.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.876 0.369 . . . . 0.0 111.04 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.5 t -72.2 -18.61 61.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.801 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 p -75.2 -21.38 58.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.17 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.41 -41.7 2.52 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.304 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.9 mmm -52.54 -28.71 21.88 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.189 0.596 . . . . 0.0 112.085 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.01 74.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.546 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.407 ' O ' HG12 ' A' ' 42' ' ' ILE . 55.8 m-85 -66.1 -49.19 68.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.085 0.469 . . . . 0.0 110.401 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.2 m -63.18 -37.62 87.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.797 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.5 95.42 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.661 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.0 tp -66.17 -47.93 72.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.949 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 38' ' ' PHE . 49.1 mm -62.55 -41.35 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.984 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -64.45 -29.3 70.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.482 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.06 -34.86 77.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.688 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -89.98 -36.52 14.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.899 0.38 . . . . 0.0 111.269 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -120.3 91.72 46.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -67.64 -26.76 39.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.788 2.325 . . . . 0.0 111.768 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -89.26 8.01 32.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.965 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.643 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -73.97 -55.79 5.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.82 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -164.21 172.39 13.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.266 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -96.91 108.8 21.58 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -66.2 -31.52 72.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.043 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.7 -18.68 62.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.881 0.372 . . . . 0.0 111.261 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -91.7 -4.73 54.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.26 0.553 . . . . 0.0 110.482 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.68 134.19 33.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.194 0.521 . . . . 0.0 111.773 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -111.36 146.9 35.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.928 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.9 -19.63 64.13 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 122.237 1.958 . . . . 0.0 110.917 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.54 -9.95 58.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.502 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -95.85 26.88 3.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.07 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -55.33 -32.71 62.73 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -37.13 82.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.664 0.268 . . . . 0.0 110.783 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -95.08 -23.09 17.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.763 0.316 . . . . 0.0 110.85 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -56.57 -53.55 56.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.568 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.718 ' HB2' HG13 ' A' ' 83' ' ' VAL . 62.9 m-85 -60.78 -45.32 94.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 111.562 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -62.0 -42.18 98.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.772 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.7 tp -62.61 -47.11 85.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.544 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.43 -54.59 37.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.561 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -60.72 -54.18 48.35 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.5 m -59.13 -45.43 90.94 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.643 HG21 ' HB1' ' A' ' 49' ' ' ALA . 12.9 m -66.21 -39.71 89.83 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.231 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.91 -35.94 81.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.986 0.422 . . . . 0.0 110.509 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' HA ' ' H ' ' A' ' 77' ' ' CYS . 2.0 tm-20 -78.23 -25.6 47.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.198 0.523 . . . . 0.0 110.564 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -79.86 -37.88 33.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.142 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.1 mt -103.94 -18.48 14.59 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.07 11.58 3.91 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 42.72 45.19 4.04 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.448 ' H ' ' HA ' ' A' ' 72' ' ' GLU . 12.5 p -67.85 140.77 56.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.91 118.69 13.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.289 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -77.2 81.28 3.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.233 0.539 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.0 mt -85.96 -18.62 32.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.439 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 96' ' ' CYS . 83.9 mt -114.59 160.62 19.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.262 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -125.82 153.94 43.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.765 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.718 HG13 ' HB2' ' A' ' 64' ' ' PHE . 33.8 t -66.7 -52.68 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.398 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -59.27 -45.1 92.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.974 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.43 -50.39 74.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.785 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.3 mtp -63.34 -42.44 98.95 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.15 -42.87 85.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.994 0.426 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 88' ' ' ARG . 39.8 ttp-105 -64.51 -40.86 96.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.226 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.4 mt -83.06 -30.08 28.32 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.67 -51.83 0.7 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.269 0.628 . . . . 0.0 112.0 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.8 t -110.29 109.73 58.46 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -81.15 160.84 20.48 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.841 2.36 . . . . 0.0 112.093 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.561 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 10.1 t70 -77.57 140.07 39.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.14 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.2 m -61.53 -31.23 71.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.05 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -70.05 -38.53 75.85 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.961 0.41 . . . . 0.0 110.325 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.561 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 32.1 m -66.51 -44.68 81.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.115 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 101' ' ' ILE . 50.1 t -65.98 -44.3 92.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.271 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.589 ' OH ' ' HB2' ' A' ' 5' ' ' SER . 84.0 t80 -56.9 -49.94 74.05 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.8 m -61.79 -38.41 87.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.373 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -63.17 -48.92 76.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.942 0.401 . . . . 0.0 110.207 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 97' ' ' VAL . 44.5 mm -69.78 -32.19 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.311 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.623 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 24.7 tt0 -55.88 -61.96 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.042 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -34.3 77.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 49.6 tp -62.53 -49.04 76.91 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.547 ' O ' HG23 ' A' ' 109' ' ' VAL . 63.7 t80 -56.66 -50.47 72.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.259 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 63.7 mtp180 -57.17 -44.09 83.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.057 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.688 ' HA ' HE21 ' A' ' 110' ' ' GLN . 49.0 m -63.89 -36.37 83.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.226 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 76.4 mt -72.59 -38.88 67.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.342 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.738 HG22 ' HB ' ' A' ' 114' ' ' VAL . 26.0 t -70.53 -42.32 78.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.555 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.688 HE21 ' HA ' ' A' ' 107' ' ' SER . 28.2 pt20 -66.84 -18.97 65.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.083 0.468 . . . . 0.0 111.696 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -99.68 8.36 44.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.092 0.473 . . . . 0.0 110.64 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.16 41.71 94.77 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.616 -0.72 . . . . 0.0 113.784 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 35.8 mt -104.75 -49.3 3.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.917 0.358 . . . . 0.0 111.928 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.738 ' HB ' HG22 ' A' ' 109' ' ' VAL . 91.0 t -69.88 -28.53 37.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-O 120.925 0.393 . . . . 0.0 111.061 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -79.45 56.75 2.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.373 0.606 . . . . 0.0 110.037 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.78 -4.39 50.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.215 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -128.77 106.09 8.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -107.77 106.2 16.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' A' ' 119' ' ' LYS . 24.4 ttpt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.36 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -64.05 -21.89 66.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.056 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 -60.03 -34.37 73.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.002 0.43 . . . . 0.0 110.294 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 48.9 mt -68.84 -42.33 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.755 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -65.62 -45.09 84.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.162 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.511 ' O ' HG23 ' B' ' 91' ' ' VAL . 67.2 mm-40 -62.27 -35.64 79.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.269 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.64 -40.4 83.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.963 0.411 . . . . 0.0 110.391 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.403 ' HE1' HD12 ' B' ' 105' ' ' LEU . 60.7 m-85 -81.42 -29.05 34.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.15 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -65.02 -25.6 67.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.824 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 87' ' ' GLU . 94.0 t -68.53 -38.15 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -77.09 -44.75 29.42 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.804 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -76.95 94.72 3.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -80.21 15.56 1.51 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -133.5 -27.43 1.54 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.833 0.349 . . . . 0.0 111.355 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.05 52.61 4.0 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -107.15 -33.72 7.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.665 0.269 . . . . 0.0 111.644 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . 0.606 ' HA2' ' CZ ' ' B' ' 138' ' ' TYR . . . 103.92 6.64 42.75 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.501 -0.856 . . . . 0.0 113.658 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' TYR . . . . . 0.631 ' HB3' ' HB3' ' B' ' 135' ' ' GLN . 98.9 m-85 -124.49 129.31 50.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.843 0.321 . . . . 0.0 111.163 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.49 HG12 ' HD2' ' B' ' 138' ' ' TYR . 18.8 pt -138.36 -171.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 5.1 p -92.97 159.94 15.1 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.06 -27.65 65.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.982 0.42 . . . . 0.0 110.426 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.51 -46.29 60.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.302 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.573 ' O ' HG23 ' B' ' 108' ' ' VAL . 0.8 OUTLIER -67.75 -34.78 77.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.261 179.663 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.403 HD12 ' HE1' ' B' ' 89' ' ' PHE . 12.4 tp -58.28 -49.23 77.87 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.68 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -61.03 -35.62 77.38 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.741 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -66.44 -34.52 78.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.264 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 104' ' ' GLU . 24.0 t -72.63 -41.81 62.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.964 0.412 . . . . 0.0 110.033 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.81 -41.23 90.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.072 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 3.2 p -78.14 -20.37 52.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.018 0.437 . . . . 0.0 110.939 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -76.35 -33.09 58.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.307 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.28 -14.76 63.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.347 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.67 31.22 54.68 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.084 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.59 152.94 37.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.752 0.31 . . . . 0.0 111.319 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -94.08 30.48 1.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -106.21 143.23 34.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.9 0.381 . . . . 0.0 110.828 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . 0.458 ' O ' HG23 ' B' ' 121' ' ' VAL . 17.3 p -81.74 163.68 22.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.278 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.56 -36.87 72.22 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.183 0.516 . . . . 0.0 110.004 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' B' ' 123' ' ' GLU . 2.5 mp0 -57.62 -48.95 78.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.396 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -63.11 -36.8 84.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 117' ' ' THR . 61.6 t -61.73 -46.8 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.427 ' HA ' ' HB ' ' B' ' 125' ' ' ILE . 2.2 m-20 -66.93 -31.53 72.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.043 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' B' ' 119' ' ' GLU . 72.2 mm-40 -61.3 -49.13 78.25 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 66.6 mtt -67.91 -38.49 83.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.048 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.883 HG23 HG13 ' B' ' 130' ' ' ILE . 8.7 mt -61.65 -40.69 87.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.83 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' B' ' 126' ' ' ARG . 5.3 mtm105 -69.5 -15.26 63.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.383 . . . . 0.0 111.217 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -104.72 18.48 22.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.245 0.545 . . . . 0.0 109.899 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -136.15 179.12 6.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.977 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -93.31 115.86 28.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.883 HG13 HG23 ' B' ' 125' ' ' ILE . 34.6 mm -125.7 -70.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.379 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -87.74 63.51 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.379 0.609 . . . . 0.0 110.717 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -138.1 -68.83 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.85 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -103.49 -27.61 12.27 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.58 -23.41 28.28 Favored Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.54 -0.838 . . . . 0.0 114.953 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . 0.631 ' HB3' ' HB3' ' B' ' 99' ' ' TYR . 26.3 mm-40 -112.32 112.69 24.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.509 0.654 . . . . 0.0 111.283 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 39.4 t -94.1 124.6 46.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.083 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 0.2 OUTLIER -75.02 115.47 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.677 178.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' TYR . . . . . 0.606 ' CZ ' ' HA2' ' B' ' 98' ' ' GLY . 8.5 p90 -73.54 -19.89 60.79 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.95 -38.7 73.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.161 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -62.1 -40.48 96.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.241 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -71.6 -38.75 70.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.21 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 138' ' ' TYR . 97.7 t -60.4 -50.61 79.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.183 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -59.82 -46.08 90.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.924 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 37.1 ttm -59.41 -43.87 92.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.994 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 45.5 mtm -65.46 -38.24 89.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.801 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 38.2 p -74.73 -12.96 60.54 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.47 -24.1 18.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.134 0.492 . . . . 0.0 110.153 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.69 -0.671 . . . . 0.0 109.446 179.581 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -60.7 -37.33 79.86 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.857 2.371 . . . . 0.0 113.049 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.0 mt -104.64 58.22 0.7 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.508 0.67 . . . . 0.0 110.402 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.07 55.48 0.73 Allowed Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.168 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -48.04 79.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.034 0.445 . . . . 0.0 110.654 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.649 ' HE3' ' HB2' ' B' ' 95' ' ' ASP . 57.2 mttt -65.67 -26.5 67.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.602 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.34 -32.6 74.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.573 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -60.01 -52.15 66.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.21 -40.7 86.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.49 -50.13 73.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.173 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.55 -45.2 95.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.002 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -63.11 -48.42 78.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t -65.24 -50.82 64.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.453 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -56.07 -32.18 63.86 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 -30.96 72.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.001 0.429 . . . . 0.0 110.817 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.9 mtm -93.37 -40.78 10.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.808 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -65.19 -23.38 67.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.095 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 ttm-85 -64.26 -20.44 66.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.076 0.465 . . . . 0.0 110.832 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -78.92 -19.48 51.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.892 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -94.05 103.71 15.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.664 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -62.42 148.37 45.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.195 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 76.82 -6.23 2.05 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.686 0.616 . . . . 0.0 111.452 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.57 78.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.048 0.451 . . . . 0.0 111.381 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.56 121.32 41.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.014 0.435 . . . . 0.0 110.48 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.6 mt -95.92 111.28 25.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.316 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -91.86 -50.01 5.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.349 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -153.46 169.94 21.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.473 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.413 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 80.4 m-85 -80.51 63.34 4.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.925 0.393 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 p -161.95 -87.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.737 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -62.03 -41.51 98.17 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -16.43 61.98 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 72.9 m95 -106.23 0.37 25.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.017 0.437 . . . . 0.0 110.781 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t -77.59 -13.88 59.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.592 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -17.11 45.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.281 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.9 -41.65 2.21 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 121.313 -0.47 . . . . 0.0 113.335 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.446 ' HB3' ' OH ' ' A' ' 52' ' ' TYR . 81.1 mmm -53.05 -25.77 13.72 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.31 93.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.702 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.418 ' O ' HG12 ' A' ' 42' ' ' ILE . 71.0 m-85 -65.55 -47.88 74.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.748 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.516 ' HB2' ' HE1' ' A' ' 52' ' ' TYR . 1.5 m -60.44 -36.62 78.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.582 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.55 -44.09 95.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.84 -41.8 91.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.989 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 38' ' ' PHE . 48.9 mm -62.82 -46.87 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -66.55 -27.83 68.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.266 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 44' ' ' LYS . 13.2 tptt -60.97 -39.86 91.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -94.3 -34.97 12.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.65 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -116.75 100.85 53.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 111.384 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -69.37 -27.14 28.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 111.639 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -86.82 3.26 45.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.546 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -61.5 -65.05 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -170.99 171.42 5.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.317 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.462 ' HB2' ' HB2' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -87.12 118.33 26.44 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.255 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' HE1' ' HB2' ' A' ' 39' ' ' CYS . 31.8 t80 -76.41 -35.71 58.44 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.39 -19.67 62.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.926 0.393 . . . . 0.0 111.576 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 63.7 mm-40 -90.38 0.72 57.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.534 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.7 mt -87.55 156.05 19.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.647 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 25.7 m-20 -128.21 136.19 28.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.255 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 56' ' ' ASP . 32.4 Cg_exo -64.35 -24.1 64.92 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.82 2.347 . . . . 0.0 111.198 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.04 -15.1 61.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.625 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.647 ' HD2' ' HB2' ' A' ' 56' ' ' ASP . 79.1 mttt -105.71 46.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.423 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HA ' ' HB2' ' A' ' 63' ' ' ASN . 20.2 mtm180 -59.73 -36.93 77.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.429 ' HG2' HG21 ' A' ' 87' ' ' VAL . 45.7 mtm105 -61.17 -47.98 83.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.132 0.491 . . . . 0.0 110.463 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -71.67 -30.6 65.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.151 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.423 ' HB2' ' HA ' ' A' ' 60' ' ' ARG . 1.1 m-20 -61.48 -52.69 63.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.33 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.505 ' HB2' HG13 ' A' ' 83' ' ' VAL . 25.4 m-85 -59.48 -45.26 92.17 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.437 ' OG1' HG11 ' A' ' 83' ' ' VAL . 40.8 m -58.53 -49.36 77.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.787 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.6 -46.05 91.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.446 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.91 75.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.391 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.547 ' HD2' HG22 ' A' ' 83' ' ' VAL . 15.5 m-85 -64.97 -47.58 77.09 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.7 p -59.89 -44.89 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 111.384 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.546 HG21 ' HB1' ' A' ' 49' ' ' ALA . 24.7 m -65.42 -40.99 94.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.782 0.325 . . . . 0.0 111.041 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.19 97.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.173 0.511 . . . . 0.0 110.208 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 76' ' ' ASP . 35.5 tt0 -70.66 -32.89 70.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.928 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -80.31 -39.29 28.99 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.5 mt -96.26 -30.55 13.39 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -177.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.21 -2.74 10.09 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER 56.12 42.06 28.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.989 0.423 . . . . 0.0 111.839 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 60.1 m -67.31 139.71 57.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.455 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.39 148.2 48.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.818 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -79.89 88.08 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.622 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.2 mt -98.54 -10.5 23.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.327 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' A' ' 96' ' ' CYS . 40.0 mt -139.52 145.06 38.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.32 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.573 ' HB2' ' CB ' ' A' ' 85' ' ' ASP . 19.1 mt-10 -100.4 141.47 33.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.151 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.547 HG22 ' HD2' ' A' ' 68' ' ' PHE . 63.3 t -62.12 -55.96 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.025 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.14 -35.23 79.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.345 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.573 ' CB ' ' HB2' ' A' ' 82' ' ' GLU . 32.9 t70 -65.23 -42.6 93.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.901 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 31.1 mtp -63.41 -37.51 87.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.429 HG21 ' HG2' ' A' ' 61' ' ' ARG . 41.8 t -70.01 -38.75 76.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.05 0.453 . . . . 0.0 110.112 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -67.26 -52.86 35.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.46 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.84 -30.94 71.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.272 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.07 -64.7 0.38 Allowed 'General case' 0 N--CA 1.465 0.299 0 O-C-N 124.009 0.818 . . . . 0.0 110.57 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.0 t -95.34 115.34 65.36 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.28 161.08 46.91 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.424 2.083 . . . . 0.0 112.431 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.44 139.27 31.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.112 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -58.24 -39.8 80.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.976 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -64.18 -46.77 82.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.721 0.296 . . . . 0.0 111.582 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.46 ' HB3' HD21 ' A' ' 81' ' ' LEU . 43.5 m -59.2 -41.49 88.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.397 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 101' ' ' ILE . 57.8 t -71.77 -42.9 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.099 0.476 . . . . 0.0 110.149 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -58.58 -53.21 60.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.849 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.1 t -65.02 -23.86 67.33 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -72.69 -50.57 23.99 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.962 0.411 . . . . 0.0 110.028 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 97' ' ' VAL . 24.1 mm -72.63 -27.74 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.39 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.804 ' HG2' ' HG3' ' B' ' 135' ' ' GLN . 13.5 tt0 -52.69 -62.51 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.492 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.477 ' OE2' ' HD2' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -74.12 -22.74 59.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.506 -179.39 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 54.7 tp -63.41 -38.47 91.28 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.472 ' HA ' HD12 ' A' ' 108' ' ' LEU . 6.7 t80 -61.49 -30.97 70.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.293 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.603 ' HG3' ' HA3' ' B' ' 134' ' ' GLY . 15.2 ttt180 -68.72 -21.21 64.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.486 0.66 . . . . 0.0 110.063 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 m -94.4 -0.74 54.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.312 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 105' ' ' TYR . 43.1 mt -107.49 -40.93 5.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.021 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.56 -43.29 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.419 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -59.9 -31.26 69.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.198 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.693 ' HB2' ' HG ' ' A' ' 113' ' ' LEU . 57.6 mmtt -80.71 -7.67 59.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.95 0.405 . . . . 0.0 110.892 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.56 22.47 77.89 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.618 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.693 ' HG ' ' HB2' ' A' ' 111' ' ' LYS . 88.7 mt -68.04 -37.38 81.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.017 0.437 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.0 t -64.3 -41.14 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.755 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.52 ' HE3' ' HG2' ' A' ' 119' ' ' LYS . 30.5 mttp -89.66 66.77 7.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.832 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.36 -15.93 59.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.118 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -99.12 163.73 12.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.856 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -68.58 106.25 2.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.023 0.44 . . . . 0.0 110.668 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.52 ' HG2' ' HE3' ' A' ' 115' ' ' LYS . 27.2 tptp . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.155 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.633 ' OE2' ' HD2' ' B' ' 86' ' ' ARG . 19.9 tt0 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.915 0.388 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 44.0 mp0 -54.06 -47.22 71.9 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.013 0.525 . . . . 0.0 112.193 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -61.67 -41.16 97.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.805 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.33 -45.87 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.399 . . . . 0.0 109.983 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.633 ' HD2' ' OE2' ' B' ' 82' ' ' GLU . 46.6 mtp85 -63.87 -40.74 97.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.825 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.472 ' O ' HG23 ' B' ' 91' ' ' VAL . 0.9 OUTLIER -66.19 -38.34 87.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.68 90.61 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.503 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -67.49 -33.15 74.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.18 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -69.35 -22.79 63.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.187 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 87' ' ' GLU . 60.4 t -66.56 -35.4 74.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.26 0.552 . . . . 0.0 109.761 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -79.41 -13.9 59.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -83.56 139.0 33.13 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -113.0 19.8 16.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.933 0.397 . . . . 0.0 111.167 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.649 ' HB2' ' HE3' ' A' ' 6' ' ' LYS . 23.3 t70 -148.32 -44.68 0.15 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.315 0.579 . . . . 0.0 110.959 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.3 57.81 0.63 Allowed Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -120.52 -27.47 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.786 0.327 . . . . 0.0 111.008 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.0 24.69 43.71 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.197 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -122.54 121.26 36.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.645 0.26 . . . . 0.0 110.646 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 19.1 pt -137.56 -174.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.602 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 57.5 p -112.69 179.6 3.93 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.584 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . 0.696 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -64.53 -25.08 67.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.49 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.66 -50.75 68.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.57 ' O ' HG23 ' B' ' 108' ' ' VAL . 25.4 mp0 -71.07 -42.35 69.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.287 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 29.4 tp -54.26 -51.11 65.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.046 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.638 ' HG3' HG11 ' B' ' 121' ' ' VAL . 11.6 ttt180 -62.61 -28.17 69.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -80.45 -37.38 32.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.565 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 104' ' ' GLU . 64.9 t -64.28 -43.82 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 110.255 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 51.3 mtt -56.9 -41.44 78.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.38 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.61 -34.55 58.37 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.417 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -67.19 -23.96 65.81 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.847 0.356 . . . . 0.0 111.245 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 82.2 mt -77.58 -9.0 58.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.127 0.489 . . . . 0.0 110.37 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.87 22.0 64.74 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.468 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -76.99 133.32 39.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 110.598 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -88.96 58.15 4.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.062 0.458 . . . . 0.0 110.727 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.404 ' HG ' ' HB2' ' B' ' 120' ' ' GLU . 12.2 tp -101.56 121.78 42.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.664 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.87 151.37 34.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.157 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.84 -35.72 64.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.915 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 26.3 mm-40 -61.23 -44.49 97.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.099 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.404 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 19.0 mm-40 -61.22 -43.44 98.87 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.19 0.519 . . . . 0.0 110.347 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.638 HG11 ' HG3' ' B' ' 106' ' ' ARG . 47.4 t -63.67 -44.78 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.037 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.57 -36.63 84.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.016 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 64.4 mt-10 -64.41 -39.25 93.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' MET . . . . . 0.475 ' HB3' ' HE1' ' B' ' 141' ' ' PHE . 59.7 mtt -64.77 -34.49 78.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.041 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.481 ' HA ' HD12 ' B' ' 130' ' ' ILE . 89.3 mt -66.11 -28.49 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 121.268 0.556 . . . . 0.0 109.967 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -80.36 -32.64 37.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.641 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.85 -35.95 79.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.584 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.27 173.43 6.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.554 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -99.71 81.72 2.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.4 0.619 . . . . 0.0 110.471 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.696 HG21 ' HB2' ' B' ' 102' ' ' ALA . 57.4 mt -105.83 -79.68 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.059 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.2 129.48 40.02 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.96 0.41 . . . . 0.0 111.098 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.1 -5.6 78.6 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.572 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . 0.403 ' HB3' ' H ' ' B' ' 134' ' ' GLY . 0.4 OUTLIER -113.6 -89.9 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.27 -0.172 . . . . 0.0 111.208 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' GLY . . . . . 0.603 ' HA3' ' HG3' ' A' ' 106' ' ' ARG . . . -177.54 -114.92 0.42 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.11 -1.043 . . . . 0.0 113.943 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . 0.804 ' HG3' ' HG2' ' A' ' 102' ' ' GLN . 64.3 mm-40 -79.95 157.29 26.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 111.991 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 6.5 t -125.35 129.48 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.542 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -93.69 119.53 32.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.099 0.476 . . . . 0.0 110.357 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -60.34 -24.3 64.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -57.57 -38.52 74.95 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -62.86 -38.53 91.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.943 0.402 . . . . 0.0 111.052 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . 0.475 ' HE1' ' HB3' ' B' ' 124' ' ' MET . 62.0 m-85 -75.42 -36.94 60.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.957 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.25 -48.53 88.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.977 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -64.46 -40.01 94.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 43.2 ttm -65.92 -41.82 90.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.05 0.452 . . . . 0.0 110.789 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 66.6 mtm -65.89 -29.34 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.908 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 2.9 p -89.48 -3.43 58.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.145 0.498 . . . . 0.0 111.308 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -108.97 10.85 26.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.219 0.533 . . . . 0.0 110.409 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.169 179.694 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -76.34 100.99 1.45 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.718 2.279 . . . . 0.0 111.805 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.4 mt -84.81 -37.29 20.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.484 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.37 153.06 17.64 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.494 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -65.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.807 0.337 . . . . 0.0 111.457 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -65.99 -9.53 31.07 Favored 'General case' 0 C--O 1.227 -0.086 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -60.15 -35.72 75.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 0.0 110.207 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.3 ttt -68.28 -45.91 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.248 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.4 mt -68.82 -34.96 76.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.962 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.34 -49.02 77.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.917 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.9 -42.21 98.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.891 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -58.73 -56.17 25.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.803 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.4 p -65.74 -34.63 78.63 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -64.7 -43.37 93.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.121 179.442 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.33 -35.7 68.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.953 0.406 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 54.0 tpp -67.02 -50.75 61.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.011 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -86.34 8.86 19.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.544 -179.379 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 31.5 ttt180 -68.42 -24.36 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.088 0.47 . . . . 0.0 110.532 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -91.0 7.56 39.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.364 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.54 ' HB2' HG22 ' A' ' 17' ' ' THR . 37.9 m-85 -110.79 122.42 47.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.394 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.79 154.49 25.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.357 -179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.3 t60 71.28 6.97 5.97 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.245 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.0 t -126.46 118.36 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.096 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -134.0 114.6 13.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.371 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.2 mt -93.47 93.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.145 0.497 . . . . 0.0 110.929 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -87.87 -36.46 17.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.392 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -164.23 160.61 21.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.752 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.48 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 71.2 m-85 -80.55 64.28 5.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.949 0.404 . . . . 0.0 111.983 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 p -158.06 -80.2 0.07 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.4 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -41.15 92.87 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 m -67.09 -14.66 63.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.889 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.48 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 58.7 m95 -108.68 5.12 24.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.775 0.321 . . . . 0.0 111.325 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -31.9 63.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.897 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -32.07 57.94 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.911 179.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.95 -20.31 33.32 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.563 -0.744 . . . . 0.0 113.091 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.8 mtp -60.82 -30.32 70.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.732 0.301 . . . . 0.0 111.7 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.95 74.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.424 ' O ' HG12 ' A' ' 42' ' ' ILE . 1.0 OUTLIER -64.38 -51.12 64.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.949 0.404 . . . . 0.0 110.369 179.666 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.22 -37.81 86.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.573 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.07 -45.59 92.84 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.037 0.446 . . . . 0.0 110.736 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.5 tp -66.75 -44.75 80.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 38' ' ' PHE . 43.5 mm -63.27 -42.81 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.967 0.413 . . . . 0.0 111.02 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -67.58 -23.49 65.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.478 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG2' ' OH ' ' A' ' 20' ' ' TYR . 4.3 tmtm? -63.34 -38.71 92.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.998 0.428 . . . . 0.0 110.068 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -94.31 -36.25 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.343 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.44 ' HZ ' ' HB2' ' A' ' 75' ' ' ALA . 59.7 m-85 -111.55 97.69 37.63 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 120.843 0.354 . . . . 0.0 110.809 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -70.45 -33.99 13.05 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.897 2.398 . . . . 0.0 112.05 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -86.29 12.55 9.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.006 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.37 -61.93 1.74 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.817 0.341 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -167.45 156.94 10.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.251 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -87.41 123.84 32.78 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -67.44 -23.82 65.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.755 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.18 -13.39 59.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.883 0.373 . . . . 0.0 110.99 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -98.91 9.31 43.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.472 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.0 mt -111.29 121.54 45.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.152 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.14 148.01 37.45 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.259 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.28 -20.25 70.15 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.939 2.426 . . . . 0.0 112.203 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.33 -12.43 60.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -109.95 40.93 1.81 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.155 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -56.5 -32.18 64.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.057 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -66.07 -52.64 47.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.42 ' HA ' ' OG1' ' A' ' 65' ' ' THR . 4.2 m-70 -71.84 -22.01 61.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.062 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -64.15 -49.94 70.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.168 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.653 ' HB2' HG13 ' A' ' 83' ' ' VAL . 27.3 m-85 -64.23 -43.82 93.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.607 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.539 HG23 HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -61.62 -48.17 82.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.675 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.6 tp -58.53 -46.48 86.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.347 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.13 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.959 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -60.23 -44.89 94.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 4.8 t -60.85 -36.63 79.62 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.8 m -79.48 -36.85 38.05 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 120.94 0.4 . . . . 0.0 110.734 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.429 ' C ' ' H ' ' A' ' 73' ' ' LYS . . . -63.69 -50.45 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.509 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 1.1 mp0 -78.97 25.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.326 0.584 . . . . 0.0 110.746 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 69' ' ' SER . 19.6 tttp -127.05 -53.28 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.577 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.3 mt -87.61 -20.23 26.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.869 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' HB2' ' HZ ' ' A' ' 46' ' ' PHE . . . -123.42 -36.26 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.509 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER 69.98 75.42 0.22 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.535 0.522 . . . . 0.0 110.799 -179.545 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.3 m -95.52 -168.51 1.79 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.798 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.66 125.0 48.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.469 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.92 73.58 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.664 0.745 . . . . 0.0 111.641 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.587 HD13 ' HB ' ' A' ' 99' ' ' THR . 18.0 mt -85.3 -4.22 59.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.469 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.9 mt -140.1 135.15 32.26 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.469 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 85' ' ' ASP . 23.5 mt-10 -95.83 144.35 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.653 HG13 ' HB2' ' A' ' 64' ' ' PHE . 89.1 t -61.08 -49.58 84.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.077 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.03 -42.47 97.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.541 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.561 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 2.5 t70 -59.58 -51.31 70.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.023 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 74.6 mtp -60.83 -40.84 94.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.035 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.65 -39.84 69.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.906 0.384 . . . . 0.0 110.506 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -65.51 -48.58 72.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.85 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.4 mt -79.01 -23.69 44.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.675 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.06 -54.63 0.69 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.409 0.683 . . . . 0.0 112.091 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.09 112.98 64.03 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -77.22 -176.96 3.48 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.512 2.142 . . . . 0.0 111.741 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.508 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 28.5 t0 -104.26 127.42 51.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.688 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.4 t -56.58 -29.14 61.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.544 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -64.41 -35.81 82.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 4.0 m -77.78 -38.99 45.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.95 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.525 ' O ' HG12 ' A' ' 101' ' ' ILE . 23.8 t -62.55 -41.52 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -55.93 -43.53 77.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.055 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.587 ' HB ' HD13 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -62.96 -44.17 96.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.67 -179.733 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -63.37 -41.95 98.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.575 0.226 . . . . 0.0 111.345 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' ' 97' ' ' VAL . 46.4 mm -64.77 -38.14 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.033 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.438 ' HG2' ' N ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -63.7 -43.0 97.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.521 179.43 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.438 ' N ' ' HG2' ' A' ' 102' ' ' GLN . 55.6 mm-40 -64.93 -44.78 88.37 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.09 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 47.5 tp -62.81 -43.88 97.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.693 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.441 ' HA ' HD12 ' A' ' 108' ' ' LEU . 64.9 t80 -56.46 -41.27 76.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.006 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.555 ' HA ' ' O ' ' B' ' 133' ' ' ASP . 21.9 mtt180 -58.42 -45.56 88.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.032 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.0 m -65.55 -30.8 71.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.23 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 47.8 mt -71.1 -37.65 72.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.981 0.42 . . . . 0.0 110.811 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.62 -51.6 49.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.401 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.493 HE21 ' HB3' ' A' ' 110' ' ' GLN . 0.6 OUTLIER -61.79 -36.45 81.13 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -71.49 -32.43 68.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.993 0.425 . . . . 0.0 110.221 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.79 16.18 43.03 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.446 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 74.8 mt -68.06 -27.46 66.53 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.117 0.484 . . . . 0.0 111.093 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 15.4 t -68.28 -30.05 46.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.682 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -98.1 50.92 1.02 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.3 t -94.39 -29.99 14.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.302 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -156.48 137.93 13.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.3 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -141.63 169.49 17.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.201 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.798 -0.62 . . . . 0.0 110.259 -179.85 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.558 ' HG2' HG21 ' B' ' 146' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.251 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.439 ' HA ' ' OE1' ' B' ' 83' ' ' GLU . 6.5 mm-40 -62.42 -27.38 69.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.876 0.37 . . . . 0.0 111.364 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.476 ' H ' ' CD ' ' B' ' 84' ' ' GLU . 25.2 mp0 -65.95 -42.29 90.15 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 28.7 mt -67.4 -40.76 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.41 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -63.23 -39.95 96.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.973 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.433 ' O ' HG23 ' B' ' 91' ' ' VAL . 1.2 mm-40 -64.54 -44.56 90.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.703 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.51 -42.48 87.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.021 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -67.77 -35.68 79.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.092 0.472 . . . . 0.0 110.553 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -22.08 66.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.438 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 87' ' ' GLU . 83.4 t -65.3 -33.84 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.41 0.624 . . . . 0.0 109.497 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -85.58 -39.07 17.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.34 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -80.3 84.99 5.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -90.31 28.29 1.48 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.161 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.78 -37.21 2.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.93 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.59 42.96 5.31 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.909 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.16 -12.78 11.18 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.706 -0.291 . . . . 0.0 111.527 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . 0.568 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 87.44 -1.47 85.95 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.211 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -105.11 124.85 50.23 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 28.9 pt -135.77 173.1 14.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.519 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . 0.723 ' HB2' ' HG2' ' B' ' 104' ' ' GLU . 1.4 m -81.27 151.45 28.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . 0.533 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -65.36 -40.84 94.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.393 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.38 89.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.547 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.723 ' HG2' ' HB2' ' B' ' 101' ' ' SER . 17.4 mm-40 -69.14 -40.16 78.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.23 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 4.3 tp -56.43 -47.03 79.91 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.868 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.632 ' HD3' HD11 ' B' ' 125' ' ' ILE . 37.8 mtm180 -62.46 -34.31 76.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.042 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -67.05 -35.12 79.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.877 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 104' ' ' GLU . 39.6 t -68.81 -46.59 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.433 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 49.3 mtt -57.33 -44.12 83.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.951 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.51 -36.65 68.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.238 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -64.99 -40.6 95.21 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.18 -29.47 67.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.295 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.14 22.61 12.72 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.254 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -62.39 139.43 58.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.664 0.269 . . . . 0.0 110.451 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' B' ' 115' ' ' LYS . 17.7 mtpt -79.0 -2.77 41.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.679 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.573 HD23 HG22 ' B' ' 121' ' ' VAL . 8.1 tp -61.66 124.4 20.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.17 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . 0.442 ' O ' HG23 ' B' ' 121' ' ' VAL . 7.4 p -79.34 161.38 26.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.196 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.37 -38.76 66.49 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -62.2 -44.05 97.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.86 0.362 . . . . 0.0 110.534 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.425 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 46.6 mt-10 -65.99 -40.5 91.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.241 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.573 HG22 HD23 ' B' ' 116' ' ' LEU . 62.5 t -66.05 -46.51 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.058 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.488 ' HA ' HD12 ' B' ' 125' ' ' ILE . 4.1 t70 -59.58 -39.72 85.02 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.267 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' GLU . . . . . 0.615 ' HA ' ' HD2' ' B' ' 126' ' ' ARG . 19.8 mt-10 -62.68 -33.86 75.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.863 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 55.6 mtt -70.18 -35.99 74.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.106 0.479 . . . . 0.0 110.004 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.702 HG23 HD12 ' B' ' 130' ' ' ILE . 80.1 mt -64.86 -33.67 65.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.615 ' HD2' ' HA ' ' B' ' 123' ' ' GLU . 29.9 mtt180 -76.48 -11.75 59.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.967 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -89.62 -30.15 18.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.585 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -100.42 160.15 14.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.242 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -82.51 88.52 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.388 0.614 . . . . 0.0 110.781 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.954 HG12 HG11 ' B' ' 136' ' ' VAL . 10.9 mt -121.67 -62.84 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.222 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.17 121.94 15.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.483 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 110' ' ' GLN . . . 96.41 -7.41 66.19 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.721 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . 0.555 ' O ' ' HA ' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -114.87 -79.65 0.59 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.687 0.28 . . . . 0.0 111.157 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 161.44 -135.58 4.01 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.514 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -66.63 151.21 47.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.872 0.367 . . . . 0.0 111.163 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' VAL . . . . . 0.954 HG11 HG12 ' B' ' 130' ' ' ILE . 7.1 m -126.92 159.21 37.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.72 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . 0.568 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 10.3 p30 -88.28 126.26 35.08 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.059 0.456 . . . . 0.0 110.379 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' TYR . . . . . 0.52 ' CZ ' ' HA2' ' B' ' 98' ' ' GLY . 8.4 p90 -69.37 -15.88 63.4 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -58.91 -40.81 85.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.375 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . 0.402 ' HG2' ' OD1' ' B' ' 137' ' ' ASN . 64.9 mm-40 -63.58 -41.42 98.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.13 0.49 . . . . 0.0 110.623 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . 0.412 ' HD2' ' HA ' ' B' ' 138' ' ' TYR . 99.8 m-85 -67.09 -38.45 85.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.099 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 138' ' ' TYR . 85.8 t -61.41 -48.0 90.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -55.79 -48.43 75.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 53.0 ttp -63.05 -39.73 95.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.689 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 60.4 mtm -63.5 -41.39 98.54 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . 0.558 HG21 ' HG2' ' B' ' 82' ' ' GLU . 1.2 p -77.79 -33.56 52.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.744 0.306 . . . . 0.0 111.509 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.51 -50.33 52.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.776 -179.696 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.739 -0.544 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.64 -74.6 0.02 OUTLIER 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.923 2.415 . . . . 0.0 111.934 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.9 mt -79.2 -55.03 5.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.991 0.424 . . . . 0.0 110.534 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.8 120.04 3.07 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 p -55.12 -60.14 3.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.914 0.388 . . . . 0.0 112.017 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.596 ' HD2' ' HB2' ' B' ' 95' ' ' ASP . 74.3 tttt -59.84 -37.2 78.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.453 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -66.72 -48.99 67.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 ttp -61.11 -42.49 98.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.74 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.3 mt -63.42 -41.24 98.71 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.99 -45.9 90.23 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.168 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.43 -45.48 90.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.309 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -59.47 -48.0 83.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.275 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.4 m -61.06 -54.48 44.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.944 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -56.24 -38.75 71.52 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.138 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.45 -34.45 68.99 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 ptp -109.06 10.36 26.12 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m -120.76 -14.07 8.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.229 0.537 . . . . 0.0 110.544 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.6 ptm85 -65.88 -18.05 65.07 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.17 0.51 . . . . 0.0 110.983 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -78.71 -16.17 57.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.297 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -89.4 111.47 22.34 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 13.2 pt-20 -60.03 145.88 44.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.823 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.5 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 22.1 t-80 79.45 -15.62 0.74 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.437 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -103.52 104.7 17.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.29 0.567 . . . . 0.0 111.981 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -120.44 103.39 9.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.698 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.5 mt -83.38 100.05 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.054 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -110.68 -10.98 14.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.997 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -149.66 -178.75 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.009 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.418 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 13.2 m-85 -113.33 36.03 3.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.955 0.407 . . . . 0.0 110.192 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 p -149.7 -76.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.733 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.28 -40.64 71.27 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -8.63 55.62 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.465 ' HB2' ' HG2' ' A' ' 92' ' ' PRO . 33.7 m95 -110.33 4.53 20.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.635 0.255 . . . . 0.0 111.071 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.7 m -67.2 -26.52 66.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.06 0.457 . . . . 0.0 111.425 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.508 ' HB2' ' HG2' ' A' ' 36' ' ' MET . 15.4 p -83.47 -25.81 30.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.102 0.477 . . . . 0.0 110.143 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.36 -4.33 68.37 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.816 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.508 ' HG2' ' HB2' ' A' ' 34' ' ' SER . 81.6 mmm -68.05 -24.04 65.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.378 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.05 -31.46 62.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 42' ' ' ILE . 42.0 m-85 -67.05 -52.56 40.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 36' ' ' MET . 1.7 p -66.77 -31.53 72.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.48 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.2 87.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.466 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 tp -63.36 -43.01 98.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 38' ' ' PHE . 50.2 mm -64.71 -42.2 94.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.92 0.391 . . . . 0.0 110.322 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -64.1 -32.31 73.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.78 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -68.36 -34.75 76.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.283 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -79.91 -48.15 13.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -123.59 105.42 33.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.008 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.52 -14.07 18.1 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.613 2.209 . . . . 0.0 112.34 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -94.19 13.12 24.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.427 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.621 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -82.63 -72.49 0.44 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.131 0.491 . . . . 0.0 110.521 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -151.51 156.93 41.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.65 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -83.59 128.83 34.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.988 0.423 . . . . 0.0 110.726 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.614 ' HA ' HD12 ' A' ' 55' ' ' LEU . 60.1 t80 -81.64 -22.82 37.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.652 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.08 -23.2 63.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 0.0 111.137 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.18 7.61 43.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.215 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 52' ' ' TYR . 20.6 mt -84.77 98.18 10.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.318 0.58 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.468 ' HB3' ' HD2' ' A' ' 59' ' ' LYS . 15.2 t70 -86.0 133.98 40.01 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.481 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.533 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 49.1 Cg_exo -58.21 -21.88 54.11 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.404 2.736 . . . . 0.0 114.091 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.19 -10.85 59.67 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.95 -0.469 . . . . 0.0 110.772 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HD2' ' HB3' ' A' ' 56' ' ' ASP . 29.5 mttm -98.61 28.58 4.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.26 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 57' ' ' PRO . 45.7 mtm180 -47.29 -46.07 24.64 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -58.86 -49.17 78.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -38.56 82.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.197 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -60.08 -52.29 65.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.3 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.426 ' HB3' HG13 ' A' ' 83' ' ' VAL . 11.9 m-85 -56.96 -44.08 82.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.429 . . . . 0.0 110.516 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.506 ' OG1' HG11 ' A' ' 83' ' ' VAL . 6.5 m -63.0 -50.94 68.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.63 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.87 -42.21 84.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.688 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.2 -49.9 75.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.741 0.305 . . . . 0.0 111.439 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -70.52 -48.06 57.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.619 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.5 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 68.1 m -54.82 -42.78 72.28 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.621 HG21 ' HB1' ' A' ' 49' ' ' ALA . 48.9 m -61.17 -41.87 97.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.96 0.41 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.4 92.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.544 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.767 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 49.4 mt-10 -67.75 -50.16 58.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.972 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.5 ' HE2' ' HB3' ' A' ' 69' ' ' SER . 58.9 mttm -63.04 -22.42 66.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.4 mt -101.35 -48.91 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.93 5.46 4.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.767 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 33.7 t70 52.39 74.69 0.26 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.505 0.669 . . . . 0.0 111.492 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.86 155.01 28.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.84 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.8 123.2 19.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.29 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -77.8 67.44 3.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.24 0.543 . . . . 0.0 110.759 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.9 mt -84.77 -2.35 57.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.642 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.6 mt -135.55 141.72 45.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.253 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.615 ' HB2' ' HB2' ' A' ' 85' ' ' ASP . 19.3 mt-10 -104.2 133.47 49.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.498 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.506 HG11 ' OG1' ' A' ' 65' ' ' THR . 65.0 t -55.68 -60.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.733 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.61 -40.45 79.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.211 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.615 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 10.0 t70 -61.29 -48.82 79.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.312 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 68.0 mtp -62.91 -40.95 99.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.937 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.84 -41.65 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.741 0.305 . . . . 0.0 110.586 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -67.93 -42.07 81.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.703 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.32 -37.63 63.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.417 ' O ' ' HD3' ' A' ' 92' ' ' PRO . . . 74.53 -41.08 0.46 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.66 0.784 . . . . 0.0 111.897 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.1 t -103.56 104.74 43.64 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.08 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.465 ' HG2' ' HB2' ' A' ' 32' ' ' TRP . 13.3 Cg_exo -72.08 152.33 56.61 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.86 2.374 . . . . 0.0 110.93 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.24 137.45 37.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.949 0.404 . . . . 0.0 111.317 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 t -57.99 -36.92 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.208 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -77.63 -45.44 25.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.676 0.274 . . . . 0.0 111.596 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.5 m -57.59 -44.86 85.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.536 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.96 -44.35 92.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.77 0.319 . . . . 0.0 110.225 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.643 ' HE2' ' HB2' ' B' ' 97' ' ' ASN . 29.7 t80 -57.13 -44.16 83.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.151 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.434 HG23 HD21 ' B' ' 97' ' ' ASN . 24.6 m -61.1 -41.6 96.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.53 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -65.17 -47.25 77.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.523 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 51.5 mm -65.34 -38.09 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.739 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -53.7 -57.86 9.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.79 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -69.43 -28.45 66.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 57.4 tp -67.26 -30.89 70.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.216 0.531 . . . . 0.0 109.697 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -67.92 -34.12 76.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.8 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -29.44 70.39 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.955 0.407 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.1 m -62.9 -28.99 70.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.204 0.526 . . . . 0.0 110.254 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.5 mt -82.05 -39.19 23.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.497 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' B' ' 133' ' ' ASP . 21.3 t -66.76 -43.11 90.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.53 ' HA ' ' O ' ' B' ' 132' ' ' GLY . 33.0 tt0 -60.08 -37.17 79.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.546 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -83.4 -7.57 59.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.946 0.403 . . . . 0.0 110.743 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.97 26.92 69.81 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.224 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 81.4 mt -75.18 -19.48 59.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.168 0.508 . . . . 0.0 111.194 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.461 HG21 HG22 ' A' ' 109' ' ' VAL . 5.0 t -75.2 -12.26 14.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.512 0.672 . . . . 0.0 110.142 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -91.82 24.96 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.789 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.4 t -74.55 8.46 2.3 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.881 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -80.12 -18.71 49.12 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -74.03 122.21 22.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.188 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.726 -0.654 . . . . 0.0 110.48 -179.812 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 121.153 0.501 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -56.81 -33.45 66.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.874 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.61 -35.35 79.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.094 0.473 . . . . 0.0 110.453 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.22 -41.42 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.525 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.599 ' HG3' ' HE2' ' B' ' 138' ' ' TYR . 50.9 ttt180 -62.6 -44.93 95.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.975 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.405 ' O ' HG23 ' B' ' 91' ' ' VAL . 47.7 mt-10 -64.18 -31.21 72.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.344 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.34 -37.11 86.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.994 0.426 . . . . 0.0 109.965 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -67.64 -32.64 73.47 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.411 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -69.84 -21.09 63.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.539 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 87' ' ' GLU . 53.8 t -73.75 -30.61 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.536 0.684 . . . . 0.0 109.189 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . 0.689 ' HD2' ' HG3' ' B' ' 104' ' ' GLU . 17.2 m-85 -81.98 -38.85 24.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.369 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.443 ' CG ' ' H ' ' B' ' 96' ' ' GLY . 32.7 t0 -66.44 134.94 53.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 177.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.504 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 20.4 tptp -85.76 -11.99 52.17 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.596 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 22.6 t70 -125.96 -35.09 2.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.092 0.472 . . . . 0.0 111.297 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . 0.443 ' H ' ' CG ' ' B' ' 93' ' ' ASP . . . 96.66 56.37 1.17 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . 0.643 ' HB2' ' HE2' ' A' ' 98' ' ' TYR . 1.8 t30 -106.36 -26.56 11.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 103.1 -0.98 47.45 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.598 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -111.45 117.68 33.71 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 14.7 pt -127.59 179.15 3.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.048 0.451 . . . . 0.0 111.487 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 74.9 p -86.06 169.15 13.43 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.064 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . 0.581 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -71.3 -30.65 66.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.97 -51.3 48.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.97 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.689 ' HG3' ' HD2' ' B' ' 92' ' ' PHE . 1.2 mp0 -59.52 -46.38 89.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.134 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 10.0 tp -55.07 -53.89 50.06 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.652 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.678 ' HD3' HD11 ' B' ' 125' ' ' ILE . 73.8 mtm180 -59.69 -37.41 78.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.787 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -64.18 -34.13 77.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.552 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.568 HG23 ' O ' ' B' ' 104' ' ' GLU . 47.2 t -68.32 -43.97 84.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 85.6 mtp -58.62 -44.55 89.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.942 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.91 -31.86 64.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 111.173 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -72.14 -24.66 61.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.616 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -75.09 -15.71 60.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.91 25.33 38.24 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.206 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -74.36 118.34 17.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.65 0.262 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -77.67 48.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.837 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 tp -94.49 144.09 25.86 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . 0.439 ' O ' HG23 ' B' ' 121' ' ' VAL . 63.1 p -74.41 149.88 40.26 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.03 -25.25 67.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.371 0.605 . . . . 0.0 110.061 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 12.6 mp0 -64.87 -46.34 82.24 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.776 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -64.8 -33.63 76.44 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 121.09 0.472 . . . . 0.0 110.321 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 117' ' ' THR . 62.1 t -63.98 -42.16 94.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.18 -41.25 92.48 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.095 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 39.3 mt-10 -62.28 -43.75 98.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.255 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.74 -39.74 95.05 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.681 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.678 HD11 ' HD3' ' B' ' 106' ' ' ARG . 97.5 mt -62.32 -35.08 67.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.041 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -77.25 -16.46 59.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.669 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -78.77 -46.17 19.43 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.53 165.87 23.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.071 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -104.72 78.53 1.45 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.064 0.459 . . . . 0.0 110.269 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.581 HG21 ' HB2' ' B' ' 102' ' ' ALA . 4.5 mt -105.96 -64.08 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.58 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.66 124.35 20.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.183 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . 0.53 ' O ' ' HA ' ' A' ' 110' ' ' GLN . . . 86.79 8.21 76.83 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.045 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . 0.48 ' O ' ' HB ' ' A' ' 109' ' ' VAL . 19.9 t70 -135.31 -68.94 0.51 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 164.1 -154.07 24.75 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.157 -1.021 . . . . 0.0 112.896 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -70.48 154.13 42.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.779 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' VAL . . . . . 0.571 HG11 HG12 ' B' ' 130' ' ' ILE . 2.7 m -120.75 167.32 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . 0.528 ' ND2' ' HB2' ' B' ' 139' ' ' GLU . 27.7 p-10 -99.4 141.52 32.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.72 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' TYR . . . . . 0.599 ' HE2' ' HG3' ' B' ' 86' ' ' ARG . 11.3 p90 -69.66 -21.32 63.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.669 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . 0.528 ' HB2' ' ND2' ' B' ' 137' ' ' ASN . 5.6 mm-40 -51.96 -43.14 63.41 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . 0.433 ' HG2' ' OD1' ' B' ' 137' ' ' ASN . 8.9 mm-40 -72.42 -47.33 50.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.427 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -60.77 -37.52 82.15 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.98 -48.8 86.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . 0.515 ' HA ' ' OG1' ' B' ' 146' ' ' THR . 10.8 mm100 -68.36 -26.4 65.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.875 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 66.2 mtp -69.38 -37.54 77.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.071 0.462 . . . . 0.0 110.282 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 16.0 ptp -84.94 -24.06 28.53 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . 0.515 ' OG1' ' HA ' ' B' ' 143' ' ' GLN . 19.0 p -79.59 -22.67 43.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.699 0.285 . . . . 0.0 111.305 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -91.15 13.46 16.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.061 0.457 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 mttm . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.764 179.76 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -62.5 -38.92 48.68 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 111.717 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.8 mt -96.14 95.23 8.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.02 58.13 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 119.36 -1.4 . . . . 0.0 114.444 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -47.66 85.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.091 0.472 . . . . 0.0 110.28 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -69.79 -31.56 69.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.748 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -64.86 -35.41 81.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.2 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.6 tpt -63.36 -46.52 86.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.559 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.5 mt -68.63 -34.09 75.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.925 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.2 -45.29 93.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.485 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.19 -40.27 86.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.118 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -60.92 -46.49 90.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.621 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 t -67.67 -46.67 71.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.093 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.666 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 23.6 ttm180 -67.42 -8.78 35.84 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.67 -19.26 22.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.1 mtm -105.06 -54.5 2.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.431 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.74 ' HB ' HD11 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -69.35 -3.52 14.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.019 -178.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.666 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 43.1 ttm-85 -70.72 -24.4 62.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 110.093 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.29 -8.11 58.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.255 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -92.45 134.92 34.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.934 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -83.34 150.91 25.82 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.594 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 68.7 20.58 8.14 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.952 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -128.28 95.19 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 111.526 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' A' ' 31' ' ' SER . 5.4 p-10 -103.31 109.81 21.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.117 0.484 . . . . 0.0 110.168 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.74 HD11 ' HB ' ' A' ' 17' ' ' THR . 19.4 mt -87.16 84.92 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.11 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -80.17 -57.68 3.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.635 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -135.06 -166.88 1.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.717 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -99.66 16.56 23.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.655 0.264 . . . . 0.0 111.575 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.415 ' HB3' ' CG1' ' A' ' 91' ' ' VAL . 70.6 m -133.72 -70.77 0.52 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.17 -44.59 71.63 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.473 ' HB3' ' O ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -68.43 -18.58 64.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -178.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -100.24 1.33 41.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.932 0.396 . . . . 0.0 111.238 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 t -72.33 -21.69 61.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 p -79.14 -21.67 46.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.342 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.4 -29.22 4.04 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.455 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.1 mmt -56.54 -33.52 66.16 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.53 75.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.769 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -69.98 -47.23 63.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.918 0.389 . . . . 0.0 110.428 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.0 m -59.88 -44.76 94.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.434 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.51 96.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.5 tp -63.3 -50.58 69.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.932 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.9 mm -63.02 -38.21 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.035 0.445 . . . . 0.0 110.404 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.27 -25.63 67.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.185 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -71.16 -33.44 70.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.003 0.43 . . . . 0.0 110.165 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -84.24 -44.21 14.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.35 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -122.04 105.11 37.7 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.21 -11.64 29.07 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.756 2.304 . . . . 0.0 112.17 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -103.4 10.33 37.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.55 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.445 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -64.39 -60.17 3.49 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.928 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -167.17 154.59 8.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.88 93.82 2.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.235 0.541 . . . . 0.0 110.568 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -62.63 -35.35 79.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.558 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.47 -11.23 59.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.853 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -106.93 7.33 29.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.107 0.48 . . . . 0.0 111.035 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -87.51 153.06 21.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -129.93 142.79 46.6 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.435 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -63.2 -21.16 72.17 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.872 2.381 . . . . 0.0 111.447 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.52 -13.15 60.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.471 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -107.37 38.67 2.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.175 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -52.89 -39.78 62.97 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 61' ' ' ARG . 36.1 ttm180 -63.58 -45.22 91.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.932 0.396 . . . . 0.0 110.457 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -70.82 -31.19 67.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.39 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.89 -54.61 44.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.035 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HB2' HG13 ' A' ' 83' ' ' VAL . 30.3 m-85 -61.97 -46.27 89.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.651 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.7 m -58.03 -49.67 76.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.66 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.2 tp -61.99 -43.55 98.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.244 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.38 -51.65 64.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.518 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -63.88 -42.25 97.53 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.0 p -63.78 -44.78 92.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.663 0.268 . . . . 0.0 111.485 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.445 HG21 ' HB1' ' A' ' 49' ' ' ALA . 12.6 m -66.53 -42.67 86.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.361 . . . . 0.0 110.737 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.445 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -62.46 -35.78 80.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' HA ' ' H ' ' A' ' 77' ' ' CYS . 18.4 tt0 -79.04 -32.96 45.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.373 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -75.69 -35.61 60.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 99.2 mt -97.33 -48.33 5.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.43 -10.07 20.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.61 61.45 1.97 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.015 0.436 . . . . 0.0 110.526 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.487 ' H ' ' HA ' ' A' ' 72' ' ' GLU . 31.5 m -83.1 153.3 24.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.109 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.45 136.46 46.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.667 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -77.72 64.23 2.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.054 0.454 . . . . 0.0 110.938 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.5 mt -82.94 -21.46 34.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.647 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.473 ' HB3' ' SD ' ' A' ' 86' ' ' MET . 85.7 mt -118.37 139.67 51.01 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.897 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -114.17 131.39 56.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.422 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.559 HG13 ' HB2' ' A' ' 64' ' ' PHE . 44.1 t -54.75 -54.99 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.099 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.66 -39.45 70.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -75.15 -41.42 58.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.473 ' SD ' ' HB3' ' A' ' 81' ' ' LEU . 88.8 mtp -63.7 -40.43 96.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.698 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.39 -35.15 61.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.1 0.476 . . . . 0.0 110.149 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -68.12 -52.11 38.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.695 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.1 mt -70.34 -25.58 63.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.38 -58.74 0.58 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.582 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 22.7 t -97.61 112.6 61.79 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.884 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 6.6 Cg_exo -74.49 144.3 32.07 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.841 2.361 . . . . 0.0 112.122 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 95' ' ' LYS . 8.6 t70 -69.08 130.38 42.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.227 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -35.5 71.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.428 ' HB3' ' OD2' ' A' ' 93' ' ' ASP . 45.0 tttp -66.74 -42.96 85.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.964 0.411 . . . . 0.0 110.901 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 43.8 m -63.02 -39.08 93.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.458 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' ILE . 79.7 t -65.14 -43.12 95.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.367 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -58.87 -51.94 67.86 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.527 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.3 m -60.91 -36.65 79.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 111.279 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -62.46 -47.19 85.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.659 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 97' ' ' VAL . 38.3 mm -75.11 -28.92 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.422 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -53.3 -61.4 2.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.62 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.459 ' OE2' ' HD2' ' A' ' 106' ' ' ARG . 0.3 OUTLIER -72.42 -28.64 63.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.353 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.504 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 49.2 tp -63.98 -46.92 82.48 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.552 ' O ' HG23 ' A' ' 109' ' ' VAL . 83.4 t80 -58.4 -44.98 89.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.315 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.778 HH12 ' HE2' ' B' ' 99' ' ' TYR . 0.7 OUTLIER -60.46 -33.53 72.7 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.189 0.519 . . . . 0.0 111.077 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.4 m -76.21 -28.96 57.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.467 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 39.6 mt -76.48 -32.14 58.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 105' ' ' TYR . 61.9 t -68.27 -48.79 71.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.421 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -70.96 -5.3 29.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.608 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -100.69 -2.81 31.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.811 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.51 17.51 76.38 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.298 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.1 mt -83.85 -45.02 13.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.649 0.261 . . . . 0.0 111.077 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.6 t -66.52 -36.53 77.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.31 0.576 . . . . 0.0 109.701 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -90.74 54.38 2.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.382 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -26.7 67.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.475 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -93.3 137.34 32.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.525 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -59.07 123.03 15.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.923 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.3 tptp . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.802 179.619 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.489 ' OE2' ' HD2' ' B' ' 86' ' ' ARG . 15.3 tt0 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 121.108 0.48 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -57.84 -41.45 82.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.119 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -60.09 -40.78 90.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.622 0.248 . . . . 0.0 111.549 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 88.7 mt -66.38 -44.36 90.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.489 ' HD2' ' OE2' ' B' ' 82' ' ' GLU . 14.9 mtp180 -64.88 -35.28 80.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.339 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.98 -41.72 99.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.011 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.6 94.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.379 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -66.44 -34.8 78.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.484 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -65.31 -22.42 66.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.268 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 60.0 t -69.62 -38.03 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.423 . . . . 0.0 109.866 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -70.52 -30.52 67.31 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.157 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -72.97 125.39 27.49 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' B' ' 94' ' ' LYS . 0.6 OUTLIER -89.03 16.41 7.11 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.531 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -151.66 -51.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.429 . . . . 0.0 111.66 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.15 58.9 0.26 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -113.27 -27.93 7.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.936 0.398 . . . . 0.0 110.245 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.33 18.71 52.26 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' TYR . . . . . 0.778 ' HE2' HH12 ' A' ' 106' ' ' ARG . 2.3 m-85 -113.89 123.23 49.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.373 . . . . 0.0 110.173 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.2 pt -138.47 159.34 31.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.325 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.4 178.48 5.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.785 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.56 71.22 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.53 0.566 . . . . 0.0 112.53 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.55 -54.45 35.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.802 0.334 . . . . 0.0 111.281 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.576 ' O ' HG23 ' B' ' 108' ' ' VAL . 1.8 mp0 -64.31 -48.23 76.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.648 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.34 -51.03 63.75 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.704 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.47 ' HG3' HG11 ' B' ' 121' ' ' VAL . 18.5 ttt180 -60.36 -36.38 77.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.991 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -69.3 -30.26 68.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.49 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 104' ' ' GLU . 44.8 t -66.68 -42.64 89.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.963 0.411 . . . . 0.0 110.121 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 80.9 mtp -58.61 -48.57 80.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.276 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -28.47 63.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.331 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -70.34 -40.08 74.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.67 -26.11 67.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.201 0.524 . . . . 0.0 110.546 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.98 13.29 27.63 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.108 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -67.66 117.41 9.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.019 0.438 . . . . 0.0 110.026 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -80.54 65.57 5.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.678 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 tp -107.79 124.85 50.66 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.41 146.21 49.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.129 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.81 -35.86 64.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.42 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -60.66 -39.9 90.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.447 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -70.24 -43.31 70.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.445 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.47 HG11 ' HG3' ' B' ' 106' ' ' ARG . 46.6 t -60.24 -50.96 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.476 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.86 -37.76 85.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.183 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.52 -42.92 98.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.054 0.454 . . . . 0.0 110.279 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -43.44 92.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.632 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.51 HG23 HD12 ' B' ' 130' ' ' ILE . 98.8 mt -64.39 -30.09 49.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.272 179.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -68.61 -26.3 65.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.513 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.4 -30.46 57.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.61 157.26 19.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.886 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -104.49 95.52 5.98 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.558 0.694 . . . . 0.0 111.598 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.51 HD12 HG23 ' B' ' 125' ' ' ILE . 50.3 mt -117.18 -57.83 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -67.29 102.84 1.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 111.512 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 120.48 -3.96 12.19 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.402 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -126.68 -73.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 167.13 -163.08 36.84 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.175 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -64.01 156.31 28.43 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.852 0.358 . . . . 0.0 111.225 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 16.6 m -125.91 169.61 17.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.878 0.37 . . . . 0.0 111.257 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -101.33 140.34 35.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.286 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' TYR . . . . . 0.411 ' HE2' ' HG2' ' B' ' 86' ' ' ARG . 51.6 p90 -65.79 -23.18 66.65 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' B' ' 143' ' ' GLN . 4.3 tt0 -60.78 -34.78 75.01 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -58.93 -38.4 78.89 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.188 0.518 . . . . 0.0 110.441 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -71.14 -35.55 71.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.314 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.94 -42.13 93.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.879 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' B' ' 139' ' ' GLU . 72.5 mt-30 -61.05 -40.33 93.21 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.24 0.543 . . . . 0.0 110.141 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 3.0 ttm -68.05 -42.48 80.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 67.3 mtm -64.35 -30.4 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.874 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.1 p -85.09 -19.03 32.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.8 0.333 . . . . 0.0 111.436 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -90.5 -15.89 29.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.591 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.669 -0.681 . . . . 0.0 109.937 179.768 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.923 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.537 ' HD2' ' HG3' ' B' ' 104' ' ' GLU . 17.4 Cg_exo -68.13 88.22 0.39 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.86 2.373 . . . . 0.0 111.391 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.516 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -84.95 80.16 9.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.528 -179.356 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.94 79.28 0.04 OUTLIER Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.896 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -63.29 -23.96 67.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.371 0.605 . . . . 0.0 110.48 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 87.4 tttt -61.36 -32.5 72.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.686 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -69.49 -27.8 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.9 tpt -65.6 -50.86 63.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.601 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.91 -36.49 82.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.258 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.56 -46.78 88.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.536 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -66.15 -40.21 90.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.531 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -65.1 -47.89 75.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.8 -43.83 87.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.584 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -62.51 -35.16 78.51 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.017 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.34 -34.94 78.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.603 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.509 ' SD ' ' HE2' ' A' ' 44' ' ' LYS . 25.6 mmt -73.3 -39.83 65.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.381 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.439 ' HA ' ' HD2' ' A' ' 20' ' ' TYR . 4.7 p -77.9 -7.79 57.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -66.46 -25.66 66.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.842 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -87.7 11.56 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.172 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.439 ' HD2' ' HA ' ' A' ' 17' ' ' THR . 56.5 m-85 -119.94 157.79 28.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.091 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -111.58 153.22 26.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 67.84 7.18 5.56 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.579 0.549 . . . . 0.0 111.83 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.9 t -131.68 114.09 24.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.071 0.462 . . . . 0.0 111.141 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -138.08 106.22 5.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.455 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.4 mt -74.47 95.68 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.371 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -91.34 -44.62 9.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.039 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -124.51 144.62 50.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.404 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.98 34.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 0.0 111.907 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.9 m -153.38 -67.29 0.15 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.807 0.337 . . . . 0.0 110.836 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -38.69 92.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 m -73.95 -3.6 30.06 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -109.33 -0.29 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.615 0.245 . . . . 0.0 111.289 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -69.71 -10.95 60.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.896 0.379 . . . . 0.0 111.961 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 p -87.24 -24.25 24.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.072 0.463 . . . . 0.0 111.03 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.39 -30.85 3.0 Favored Glycine 0 C--O 1.229 -0.194 0 CA-C-N 116.098 -0.501 . . . . 0.0 113.249 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.9 mmm -57.68 -26.38 61.61 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.78 -39.31 80.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.768 0.318 . . . . 0.0 111.718 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.403 ' O ' HG12 ' A' ' 42' ' ' ILE . 75.8 m-85 -65.19 -48.2 74.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.014 0.435 . . . . 0.0 110.181 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -39.77 93.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.298 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.36 92.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.35 -44.29 88.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.233 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 38' ' ' PHE . 50.7 mm -64.52 -43.95 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.066 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -64.58 -27.78 69.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.364 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.509 ' HE2' ' SD ' ' A' ' 16' ' ' MET . 49.6 tptt -63.19 -39.89 95.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.124 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -95.66 -35.74 11.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -114.19 96.57 42.82 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.802 0.334 . . . . 0.0 111.45 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -72.8 -16.74 26.21 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.903 2.402 . . . . 0.0 111.292 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.67 -10.06 47.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.806 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -59.03 -67.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.01 0.433 . . . . 0.0 111.315 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -167.08 158.75 12.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.701 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 25.5 t0 -86.58 126.24 34.35 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.924 0.392 . . . . 0.0 110.209 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -71.87 -23.34 61.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.292 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.16 -25.03 51.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.801 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -82.95 -25.12 32.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.334 0.588 . . . . 0.0 110.45 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 51' ' ' ASP . 94.5 mt -69.7 141.25 53.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 1.8 p-10 -131.2 138.2 32.34 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.772 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 56' ' ' ASP . 51.1 Cg_exo -55.49 -28.64 65.35 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.687 2.925 . . . . 0.0 114.647 -178.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HB3' ' OD2' ' A' ' 56' ' ' ASP . . . -65.33 -36.49 84.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.029 0.442 . . . . 0.0 111.004 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -86.92 32.99 0.66 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.776 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -51.33 -30.52 18.69 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -62.32 -60.28 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.0 110.404 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -67.68 -30.03 69.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.387 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -60.02 -48.91 79.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.088 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.49 -41.2 93.8 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.927 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 m -63.51 -46.58 85.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.645 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.7 tp -61.75 -41.92 98.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.639 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.61 73.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.236 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -67.36 -45.4 76.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.2 p -61.16 -47.69 85.01 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.406 HG21 ' HB1' ' A' ' 49' ' ' ALA . 7.4 m -63.66 -39.12 93.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.674 0.274 . . . . 0.0 111.322 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.88 -31.34 72.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.418 0.628 . . . . 0.0 109.841 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -74.82 -37.67 62.24 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.269 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -74.6 -42.55 58.48 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.6 mt -93.34 7.3 44.98 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.28 -30.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 66.24 88.0 0.11 Allowed 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 10.5 m -106.57 -159.42 0.7 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.427 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -113.22 117.55 32.2 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -76.81 71.95 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.08 0.467 . . . . 0.0 111.188 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.5 mt -74.46 -42.54 58.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.295 0.569 . . . . 0.0 110.127 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.9 mt -98.43 156.63 16.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.87 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -122.86 146.75 47.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.295 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.6 t -56.62 -59.34 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.447 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -56.61 -49.16 75.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.421 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -56.62 -50.82 70.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.844 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.5 mtp -63.78 -37.55 87.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.963 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.24 -38.25 79.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.903 0.383 . . . . 0.0 110.674 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -72.09 -43.46 64.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.753 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.6 mt -78.91 -34.59 44.56 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.59 -53.17 0.7 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.471 0.708 . . . . 0.0 111.827 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.1 t -101.62 112.04 64.69 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.278 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.47 174.8 8.64 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.784 2.323 . . . . 0.0 111.71 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.586 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 15.2 t70 -85.35 149.3 25.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.796 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.2 m -63.28 -41.69 99.02 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.542 ' HB3' ' HB3' ' B' ' 95' ' ' ASP . 54.6 pttt -85.81 -23.06 27.34 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.586 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 91.2 m -63.85 -41.06 97.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 101' ' ' ILE . 40.9 t -76.32 -37.34 31.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.512 ' HB3' ' HA ' ' A' ' 95' ' ' LYS . 49.6 t80 -55.03 -47.7 74.39 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.899 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.659 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 8.2 m -61.32 -47.82 84.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.355 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -55.95 -41.28 74.45 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.075 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 97' ' ' VAL . 49.0 mm -65.92 -40.02 86.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.036 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -45.45 83.97 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.988 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' A' ' 99' ' ' THR . 15.5 mm-40 -62.54 -38.77 91.29 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.274 0.559 . . . . 0.0 110.021 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 53.5 tp -68.5 -41.67 79.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.166 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.429 ' O ' HG23 ' A' ' 109' ' ' VAL . 71.0 t80 -57.47 -45.23 85.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.371 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.487 ' HD3' ' CG ' ' B' ' 133' ' ' ASP . 27.5 ttp180 -56.09 -45.72 79.3 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.214 0.53 . . . . 0.0 110.463 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.6 m -61.34 -39.85 92.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 61.9 mt -68.15 -35.12 77.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.037 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 105' ' ' TYR . 83.4 t -70.52 -48.12 61.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.478 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -67.63 -20.11 65.29 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -87.02 -12.66 46.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.313 0.577 . . . . 0.0 110.243 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.75 15.18 73.76 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.792 -0.64 . . . . 0.0 113.041 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 98.4 mt -75.94 -36.84 59.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.008 0.432 . . . . 0.0 110.933 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 48.3 t -74.31 -27.36 21.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.29 0.566 . . . . 0.0 109.99 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -87.26 45.07 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.419 0.628 . . . . 0.0 110.697 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -100.54 18.92 17.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.567 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -83.23 21.7 1.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.141 0.496 . . . . 0.0 111.226 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -106.73 158.24 17.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.548 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 50.1 tptt . . . . . 0 C--O 1.247 0.954 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.513 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 121.129 0.49 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -62.17 -30.5 71.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.439 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -55.14 -50.91 68.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.035 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 33.3 mt -64.52 -40.79 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.592 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -62.36 -44.6 96.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.614 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.474 ' O ' HG23 ' B' ' 91' ' ' VAL . 7.3 tp10 -68.25 -39.6 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.724 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.18 -47.12 84.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.289 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -69.49 -30.34 68.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -63.28 -30.09 71.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.504 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 87' ' ' GLU . 19.2 t -68.14 -27.62 37.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.989 0.423 . . . . 0.0 110.776 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . 0.441 ' HA ' ' CB ' ' A' ' 3' ' ' LEU . 28.1 m-85 -72.29 -41.93 66.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -66.32 155.37 37.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.21 -2.79 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.542 ' HB3' ' HB3' ' A' ' 95' ' ' LYS . 1.1 m-20 -143.82 -17.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.84 64.63 1.14 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -123.16 -34.77 3.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . 0.567 ' HA2' ' HE1' ' B' ' 138' ' ' TYR . . . 95.41 12.59 53.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.927 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' TYR . . . . . 0.517 ' HB3' ' HG2' ' B' ' 135' ' ' GLN . 4.4 m-30 -95.43 107.92 20.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.431 0.158 . . . . 0.0 111.0 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.693 HG12 ' HB3' ' B' ' 138' ' ' TYR . 1.8 pp -119.51 142.32 35.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.589 0.233 . . . . 0.0 110.833 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.03 144.57 38.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.773 0.321 . . . . 0.0 111.132 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.1 82.01 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.69 -37.94 77.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.147 0.498 . . . . 0.0 110.692 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.608 ' O ' HG23 ' B' ' 108' ' ' VAL . 2.5 mp0 -80.44 -41.18 24.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.182 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 24.3 tp -54.5 -44.48 72.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.395 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.828 ' HG3' HG11 ' B' ' 121' ' ' VAL . 12.7 ttt180 -64.13 -29.38 70.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.03 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . 0.493 ' O ' ' HB2' ' B' ' 111' ' ' ASN . 3.4 t-80 -85.65 -23.37 27.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.318 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 104' ' ' GLU . 85.8 t -66.48 -48.55 80.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.744 0.307 . . . . 0.0 110.503 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' MET . . . . . 0.499 ' O ' ' HB2' ' B' ' 114' ' ' GLU . 83.7 mtp -58.54 -42.23 87.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.317 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.64 -32.1 67.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.088 0.471 . . . . 0.0 110.85 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' B' ' 107' ' ' HIS . 1.0 OUTLIER -73.14 -29.09 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.041 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' ' 108' ' ' VAL . 82.0 mt -71.87 -9.42 58.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.432 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.5 27.29 18.04 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.175 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' B' ' 109' ' ' MET . 2.9 mm-40 -83.54 164.5 19.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.703 0.287 . . . . 0.0 110.418 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -126.58 28.99 5.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.205 0.526 . . . . 0.0 111.314 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' B' ' 120' ' ' GLU . 14.1 tp -70.63 132.01 44.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.377 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.18 152.43 40.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.706 0.288 . . . . 0.0 111.246 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -59.06 -40.79 86.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.156 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -60.85 -36.63 79.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.722 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.421 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 47.7 mm-40 -61.39 -40.51 94.62 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.932 0.396 . . . . 0.0 110.181 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.828 HG11 ' HG3' ' B' ' 106' ' ' ARG . 19.8 t -62.59 -44.05 99.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.347 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -40.14 96.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -60.08 -45.99 91.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.056 0.455 . . . . 0.0 109.908 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 63.3 mtt -66.26 -34.46 78.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.459 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.765 HG23 HD12 ' B' ' 130' ' ' ILE . 34.9 mt -65.5 -38.52 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.142 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -71.88 -22.76 61.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.437 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -88.87 -9.35 51.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.259 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -113.36 161.16 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.291 0.567 . . . . 0.0 112.244 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -85.68 89.68 7.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.266 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.765 HD12 HG23 ' B' ' 125' ' ' ILE . 40.3 mt -115.16 -65.84 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.259 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -66.46 131.78 46.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.78 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.25 -21.04 46.19 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.777 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . 0.487 ' CG ' ' HD3' ' A' ' 106' ' ' ARG . 2.1 t0 -104.98 -65.23 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.153 0.502 . . . . 0.0 110.309 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 134.95 -66.02 0.57 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.973 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . 0.517 ' HG2' ' HB3' ' B' ' 99' ' ' TYR . 0.1 OUTLIER -106.53 155.9 19.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.837 0.351 . . . . 0.0 110.833 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 1.3 t -117.03 151.42 18.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -86.24 108.78 18.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.305 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' TYR . . . . . 0.693 ' HB3' HG12 ' B' ' 100' ' ' ILE . 24.8 p90 -60.48 -27.73 67.79 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.63 -39.73 68.26 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.817 0.342 . . . . 0.0 111.751 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -63.78 -26.8 68.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.08 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -92.26 -42.24 9.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.422 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 93.8 t -59.8 -47.99 89.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.084 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -68.51 -32.66 72.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.252 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 40.7 ttm -68.73 -47.94 65.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.776 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 63.4 mtm -61.4 -36.54 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.769 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 3.6 p -82.01 1.8 33.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -110.53 3.51 19.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.382 0.61 . . . . 0.0 109.566 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.422 -179.78 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.67 21.03 0.81 Allowed 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.933 2.422 . . . . 0.0 112.176 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.5 mt -113.75 2.78 15.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.656 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.08 128.28 3.99 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.739 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 p -62.25 -41.53 98.52 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -63.62 -36.2 83.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.655 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -67.07 -35.73 80.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -60.69 -49.81 76.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.014 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.0 mt -66.04 -35.76 81.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.0 tp -65.17 -43.35 92.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.62 -42.58 99.09 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.665 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -61.63 -46.84 88.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.8 m -69.64 -39.55 77.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -54.98 -38.62 68.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.345 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.8 95.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.918 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.8 ptp -83.9 -18.34 37.73 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.48 HG21 ' H ' ' A' ' 25' ' ' ILE . 41.8 m -64.82 -30.93 71.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.324 0.583 . . . . 0.0 110.036 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -67.91 -15.05 63.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.738 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -88.11 -1.52 58.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 110.559 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -117.46 151.61 36.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -110.61 148.28 32.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.75 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.6 t60 69.73 14.23 8.11 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.689 0.618 . . . . 0.0 111.259 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -130.07 115.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.778 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -128.88 93.77 3.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.003 0.43 . . . . 0.0 110.594 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.552 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 67.4 mt -84.48 100.36 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.079 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -105.02 -15.91 14.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.488 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -161.97 165.34 27.59 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.547 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 88.3 m-85 -90.21 57.1 3.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.922 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 p -158.32 -84.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.48 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -57.54 -41.62 81.29 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.552 ' CB ' ' HA ' ' A' ' 25' ' ' ILE . 10.0 m -69.63 -8.08 44.44 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.431 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 70.1 m95 -110.29 -5.42 15.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.794 0.331 . . . . 0.0 111.358 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.6 m -67.15 -18.77 65.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.1 -16.04 58.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.032 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.1 -47.04 2.81 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.236 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.3 mmm -48.54 -33.18 9.16 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.19 -34.69 64.1 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.45 ' O ' HG12 ' A' ' 42' ' ' ILE . 67.4 m-85 -64.19 -52.8 57.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.978 0.418 . . . . 0.0 110.77 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.7 m -66.87 -31.79 72.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.766 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.54 97.85 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 110.376 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 tp -68.15 -42.43 80.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.779 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 38' ' ' PHE . 51.8 mm -61.55 -46.0 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.004 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -68.03 -19.96 64.95 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -68.71 -34.65 76.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.37 . . . . 0.0 110.094 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -98.0 -35.29 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.476 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -114.39 100.41 52.87 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.849 0.357 . . . . 0.0 111.466 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.9 -39.15 3.47 Favored 'Trans proline' 0 CA--C 1.528 0.178 0 C-N-CA 123.039 2.493 . . . . 0.0 111.947 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -81.85 15.87 2.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.156 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.731 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -81.69 -58.67 2.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.853 0.358 . . . . 0.0 111.371 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -169.77 169.61 8.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.783 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -95.67 116.37 28.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -72.34 -27.34 62.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.119 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.71 -17.05 62.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.09 0.471 . . . . 0.0 110.447 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -95.81 10.89 35.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.806 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.0 mt -105.86 132.82 51.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.191 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -108.05 150.07 39.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.07 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.89 -17.58 56.02 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.543 2.162 . . . . 0.0 110.99 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.07 -8.46 59.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.019 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -105.19 38.39 1.96 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.038 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -56.79 -43.85 81.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.097 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -58.9 -48.54 81.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.011 0.434 . . . . 0.0 110.097 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -38.62 91.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.372 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -56.59 -48.67 76.9 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.799 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -61.81 -43.44 98.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.486 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -64.7 -46.74 81.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.004 0.43 . . . . 0.0 110.136 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.51 -49.32 78.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.56 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.39 -53.48 56.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.902 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -62.79 -52.11 64.48 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.0 m -59.3 -47.55 84.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.731 HG21 ' HB1' ' A' ' 49' ' ' ALA . 14.6 m -63.38 -40.6 97.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.748 0.308 . . . . 0.0 111.098 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.42 -39.06 88.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 110.581 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 4.0 tt0 -71.39 -33.16 69.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.175 0.512 . . . . 0.0 110.898 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -75.92 -31.07 58.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.937 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.6 mt -99.35 -52.1 3.6 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.03 0.5 25.68 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 5.5 p-10 41.63 54.72 3.7 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 7.7 p -79.68 163.31 24.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.58 139.4 35.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.344 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -80.43 86.06 5.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.686 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.2 mt -79.55 -14.8 58.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.664 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.1 mt -132.62 159.5 39.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.652 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.591 ' HB2' ' HB3' ' A' ' 85' ' ' ASP . 57.4 mt-10 -115.38 153.67 30.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.644 0.259 . . . . 0.0 111.069 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.71 -57.36 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.547 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.8 -36.75 74.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.702 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 1.1 t70 -63.04 -53.18 57.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.042 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.414 ' CE ' ' HA ' ' A' ' 86' ' ' MET . 19.0 mmt -61.3 -40.92 95.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.632 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.97 -38.69 83.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.824 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.3 ttp-105 -77.04 -52.07 9.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.041 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -42.95 86.45 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.45 ' O ' ' HD3' ' A' ' 92' ' ' PRO . . . 72.83 -46.25 0.64 Allowed 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.74 104.29 30.29 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 90' ' ' ALA . 7.8 Cg_exo -74.12 147.97 38.89 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.811 2.341 . . . . 0.0 112.318 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.578 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 18.5 t0 -73.77 137.24 43.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.615 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.3 t -60.19 -30.59 69.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.421 ' HG3' ' OD2' ' B' ' 95' ' ' ASP . 28.6 tttp -72.63 -40.85 66.1 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.132 0.491 . . . . 0.0 110.916 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.578 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 55.8 m -65.51 -45.91 81.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.187 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' A' ' 28' ' ' PHE . 21.3 t -68.68 -41.63 82.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.493 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -56.45 -52.4 64.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.89 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.8 m -62.02 -35.78 79.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.441 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.26 -45.84 89.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.864 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.3 mm -73.98 -31.51 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.146 0.498 . . . . 0.0 109.999 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -55.93 -55.14 36.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.001 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.83 -38.99 73.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.398 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.32 -41.44 89.11 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.662 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.524 ' O ' HG23 ' A' ' 109' ' ' VAL . 83.5 t80 -60.4 -40.32 90.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.245 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.569 ' HG2' ' H ' ' B' ' 135' ' ' GLN . 82.7 mtp180 -61.01 -46.88 88.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 m -59.7 -33.35 71.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.081 0.467 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.2 mt -75.79 -25.34 56.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.685 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 105' ' ' TYR . 92.2 t -74.48 -46.21 43.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.593 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.403 ' H ' ' HG2' ' A' ' 110' ' ' GLN . 1.3 pt20 -63.91 -30.35 71.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.974 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -82.98 -13.18 56.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.778 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 73.09 38.56 54.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.946 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 95.0 mt -99.22 -17.95 17.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.1 t -76.41 -40.09 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -84.94 62.05 7.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.001 0.429 . . . . 0.0 110.647 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -26.44 60.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.723 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -115.23 111.08 20.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.438 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -104.13 97.94 7.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.042 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.161 179.919 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.843 0.354 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.29 -30.99 61.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.856 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -59.26 -32.97 70.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.98 -42.56 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.067 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.439 ' HG3' ' CE2' ' B' ' 138' ' ' TYR . 54.3 ttt180 -65.33 -39.36 92.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.041 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.499 ' O ' HG23 ' B' ' 91' ' ' VAL . 38.9 mt-10 -67.07 -32.86 74.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.812 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.48 96.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.984 0.421 . . . . 0.0 109.933 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -71.63 -33.34 68.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.804 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -60.47 -33.24 72.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.554 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 87' ' ' GLU . 89.8 t -62.87 -37.5 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.041 0.448 . . . . 0.0 110.829 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -72.03 -37.37 69.76 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.568 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -67.42 137.07 55.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' B' ' 94' ' ' LYS . 44.8 mmtm -113.31 7.6 17.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.421 ' OD2' ' HG3' ' A' ' 95' ' ' LYS . 9.6 t70 -132.43 -25.08 1.98 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.155 0.502 . . . . 0.0 111.002 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.24 43.05 5.71 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.771 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . 0.704 ' HB3' ' HD2' ' B' ' 99' ' ' TYR . 4.3 m-20 -102.92 -36.37 8.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.094 0.473 . . . . 0.0 110.914 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 95.82 13.63 49.47 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.153 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' TYR . . . . . 0.704 ' HD2' ' HB3' ' B' ' 97' ' ' ASN . 58.7 m-85 -117.41 123.69 47.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.0 pt -139.82 179.73 2.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.4 p -98.93 171.59 7.96 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.661 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . 0.652 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -65.72 -23.9 66.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.42 -50.8 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.237 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.577 ' O ' HG23 ' B' ' 108' ' ' VAL . 6.3 mp0 -67.76 -39.15 84.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.702 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 44.0 tp -54.05 -52.56 60.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.427 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -68.09 -31.15 70.57 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -65.5 -34.94 79.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 104' ' ' GLU . 58.9 t -71.02 -43.33 76.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 9.1 mtt -58.86 -45.8 89.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.491 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 2.0 p -74.31 -9.97 59.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.709 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -98.39 -12.29 21.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.14 0.495 . . . . 0.0 110.602 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 108' ' ' VAL . 86.2 mt -92.9 4.69 53.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.136 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.23 32.26 79.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.103 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -72.46 142.52 48.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.589 0.233 . . . . 0.0 110.667 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -96.38 18.26 14.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.284 0.564 . . . . 0.0 110.326 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.611 HD23 HG22 ' B' ' 121' ' ' VAL . 10.3 tp -77.28 120.27 22.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.219 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 121' ' ' VAL . 55.3 p -69.28 154.41 42.08 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.58 -34.99 65.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.557 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.542 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 1.6 mp0 -60.0 -45.97 91.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.093 178.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.443 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 38.6 mt-10 -63.88 -39.33 93.94 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.032 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.611 HG22 HD23 ' B' ' 116' ' ' LEU . 46.5 t -63.42 -42.92 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.446 179.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -59.82 -40.37 88.18 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.904 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 32.2 mt-10 -60.79 -48.04 83.61 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.903 178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 40.8 mtt -60.12 -43.49 95.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.862 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.626 HG23 HD12 ' B' ' 130' ' ' ILE . 90.0 mt -65.39 -34.94 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.427 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 26.0 ttm-85 -70.48 -25.0 62.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.341 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' B' ' 123' ' ' GLU . 36.3 mt-10 -80.74 -9.19 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.072 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -118.64 153.84 33.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.093 0.473 . . . . 0.0 110.419 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.95 68.85 10.68 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.207 0.527 . . . . 0.0 111.114 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.652 HG21 ' HB2' ' B' ' 102' ' ' ALA . 45.7 mt -96.84 -60.29 2.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.841 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.28 110.67 3.62 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 113.63 -14.44 22.4 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.658 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -105.15 -57.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.78 0.324 . . . . 0.0 110.54 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 133.22 -106.86 0.65 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.654 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . 0.569 ' H ' ' HG2' ' A' ' 106' ' ' ARG . 9.0 mm-40 -89.24 140.04 29.88 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' VAL . . . . . 0.622 HG11 HG12 ' B' ' 130' ' ' ILE . 15.5 m -130.63 165.13 31.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.837 0.351 . . . . 0.0 111.155 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . 0.529 ' OD1' ' HG2' ' B' ' 140' ' ' GLU . 25.7 p-10 -94.88 141.96 28.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.144 0.497 . . . . 0.0 111.005 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' TYR . . . . . 0.439 ' CE2' ' HG3' ' B' ' 86' ' ' ARG . 47.9 p90 -68.17 -24.87 65.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.752 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -54.05 -43.39 70.18 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . 0.529 ' HG2' ' OD1' ' B' ' 137' ' ' ASN . 12.3 mm-40 -60.62 -45.17 95.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.711 0.291 . . . . 0.0 111.032 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -39.99 92.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.075 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 77.8 t -62.2 -43.91 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.083 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -65.89 -33.28 75.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.261 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 82.7 mtp -70.89 -47.81 57.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 23.2 ptp -67.01 -24.78 66.06 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 16.5 p -87.36 -20.23 27.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.04 0.448 . . . . 0.0 110.721 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.49 -29.57 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.634 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.865 179.898 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -59.2 -51.27 6.87 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.006 2.47 . . . . 0.0 112.428 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.6 mt -84.28 71.6 10.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.807 0.337 . . . . 0.0 110.948 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.815 ' HA2' ' HD2' ' B' ' 94' ' ' LYS . . . -177.13 97.95 0.11 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.428 -0.891 . . . . 0.0 113.39 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -49.43 24.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.326 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.548 ' HE2' ' HB2' ' B' ' 95' ' ' ASP . 27.4 mttt -64.35 -29.41 70.48 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.554 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.43 -35.79 76.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.684 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.1 tpp -61.74 -53.1 60.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.7 mt -65.76 -36.5 83.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.818 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.46 -46.46 86.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.144 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -64.52 -44.86 89.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.3 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -59.23 -43.83 92.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.626 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -68.41 -49.66 58.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.693 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.559 ' HA ' HD12 ' A' ' 25' ' ' ILE . 35.0 ttm180 -58.26 -32.32 68.27 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.87 -17.96 64.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.4 mtm -117.47 -45.42 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.931 ' HB ' HD11 ' A' ' 25' ' ' ILE . 1.3 m -68.33 -11.84 60.15 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 19.4 ttm-85 -69.69 -13.89 62.53 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.438 0.637 . . . . 0.0 110.189 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -77.27 -11.84 59.88 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.464 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -92.57 127.83 38.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.458 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.1 mp0 -75.63 146.48 40.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.734 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 69.21 18.67 8.1 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.667 0.604 . . . . 0.0 110.86 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.3 t -123.07 117.47 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.654 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -116.0 149.27 39.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.931 HD11 ' HB ' ' A' ' 17' ' ' THR . 10.6 mt -129.45 96.96 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.856 0.36 . . . . 0.0 111.233 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -97.99 -51.24 4.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.233 0.54 . . . . 0.0 109.653 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -157.02 167.57 30.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.952 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.404 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 60.6 m-85 -77.57 48.24 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.636 0.255 . . . . 0.0 111.348 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 m -148.61 -81.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -60.89 -45.06 96.11 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.05 2.0 9.79 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.404 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 39.2 m95 -122.34 14.2 10.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.482 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.7 t -69.03 -31.89 71.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.479 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.3 p -79.28 -27.73 42.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.279 0.562 . . . . 0.0 110.604 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.12 -3.68 79.65 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.763 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.49 -30.53 71.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.421 . . . . 0.0 110.335 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.57 -33.25 72.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.251 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.41 ' O ' HG12 ' A' ' 42' ' ' ILE . 39.7 m-85 -63.21 -55.62 23.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.086 0.469 . . . . 0.0 110.032 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 41.9 m -63.45 -35.66 81.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.25 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.16 98.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.794 0.33 . . . . 0.0 110.683 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.4 tp -71.32 -46.74 59.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 38' ' ' PHE . 49.4 mm -61.18 -39.11 81.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.008 0.432 . . . . 0.0 110.768 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -64.22 -24.34 67.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.265 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -73.96 -28.88 61.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.022 0.439 . . . . 0.0 110.433 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -90.72 -39.42 12.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.639 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.43 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 78.2 m-85 -126.39 102.1 27.07 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.007 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.44 -29.29 25.61 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 122.848 2.365 . . . . 0.0 111.972 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -86.09 -0.81 56.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.376 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.755 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -62.55 -56.52 17.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.761 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -169.41 164.11 10.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.804 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.507 ' HB2' ' HB2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -94.1 111.88 23.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.985 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.561 ' HA ' HD12 ' A' ' 55' ' ' LEU . 89.4 t80 -69.38 -37.9 77.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.1 -21.76 66.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.072 0.463 . . . . 0.0 111.202 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 13.3 mm-40 -93.36 -1.45 55.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.366 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 52' ' ' TYR . 30.0 mt -79.81 136.41 36.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.012 0.434 . . . . 0.0 110.981 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.441 ' HB2' ' HE2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -101.69 121.87 49.63 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.46 179.532 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.412 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 19.2 Cg_endo -60.14 -21.56 66.4 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.705 2.27 . . . . 0.0 112.593 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.97 -7.2 55.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.159 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 56' ' ' ASP . 55.4 mtmt -115.93 49.84 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.812 0.339 . . . . 0.0 110.379 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 57' ' ' PRO . 54.2 mtm180 -57.07 -33.53 67.36 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.14 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.7 mtm105 -59.51 -45.34 91.99 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.906 0.384 . . . . 0.0 110.272 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -74.37 -34.84 63.47 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -59.02 -53.95 52.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.86 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -59.24 -44.51 92.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.715 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.7 m -60.64 -45.46 94.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.6 tp -61.95 -41.63 98.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.535 -179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.65 -54.61 43.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.436 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -62.22 -51.32 68.25 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.3 p -56.48 -48.62 76.72 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.755 HG21 ' HB1' ' A' ' 49' ' ' ALA . 13.6 m -65.65 -40.03 92.03 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.574 0.226 . . . . 0.0 111.242 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.37 -43.52 98.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.168 0.509 . . . . 0.0 109.943 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.49 ' HA ' ' H ' ' A' ' 77' ' ' CYS . 31.6 tt0 -70.55 -41.42 72.5 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.648 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 73' ' ' LYS . 31.1 tptt -67.44 -33.26 74.78 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.8 mt -100.99 -33.74 10.05 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.6 1.24 12.23 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 t70 55.39 45.0 26.27 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.089 0.471 . . . . 0.0 111.456 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.49 ' H ' ' HA ' ' A' ' 72' ' ' GLU . 46.7 m -72.7 152.71 41.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.057 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.17 142.09 33.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.511 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -79.8 76.51 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.002 0.43 . . . . 0.0 110.27 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 100' ' ' TYR . 94.6 mt -82.41 -14.9 54.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.328 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.6 mt -136.53 147.26 46.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.157 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -110.54 142.06 42.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.533 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.57 -56.31 18.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.82 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -60.06 -30.64 69.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.105 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.638 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 2.1 t0 -76.56 -48.95 17.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.754 0.311 . . . . 0.0 110.692 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 83.3 mtp -58.78 -48.04 82.61 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.0 t -60.9 -35.36 64.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.137 0.494 . . . . 0.0 110.329 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -69.4 -40.54 77.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 85' ' ' ASP . 55.3 mt -73.39 -31.46 63.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.053 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.93 -50.38 0.69 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.405 0.682 . . . . 0.0 111.797 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.5 t -110.7 104.88 56.71 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.35 144.97 63.91 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.932 2.421 . . . . 0.0 112.484 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' OD2' ' HB3' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -71.0 136.35 48.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.29 179.335 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 m -60.72 -27.82 68.19 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.42 ' HB3' ' OD2' ' A' ' 93' ' ' ASP . 49.6 tttp -72.08 -48.35 44.76 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.696 0.284 . . . . 0.0 111.41 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.1 m -58.15 -45.39 87.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.75 -42.6 89.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.421 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -58.38 -50.91 71.96 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.718 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.0 m -59.38 -41.64 89.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.406 ' HA ' HD12 ' A' ' 80' ' ' LEU . 58.2 t80 -60.96 -49.65 76.57 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.279 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.52 -36.33 70.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.555 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.55 -52.47 65.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.21 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.89 -36.47 83.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.774 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 49.8 tp -66.12 -34.54 78.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.263 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.521 ' HA ' HD12 ' A' ' 108' ' ' LEU . 54.3 t80 -59.4 -33.31 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.265 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.499 ' HA ' ' HA3' ' B' ' 134' ' ' GLY . 41.2 mtp180 -67.96 -30.54 69.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.075 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 m -79.65 -8.07 58.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.394 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 105' ' ' TYR . 36.4 mt -96.24 -39.49 9.64 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.667 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.601 ' HB ' ' O ' ' B' ' 133' ' ' ASP . 59.1 t -64.05 -40.85 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 120.894 0.378 . . . . 0.0 111.036 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.427 ' OE1' ' HE2' ' A' ' 111' ' ' LYS . 3.8 pt20 -64.6 -29.85 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.581 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.427 ' HE2' ' OE1' ' A' ' 110' ' ' GLN . 73.1 mmtt -86.03 -7.86 58.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.117 0.484 . . . . 0.0 110.541 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.91 15.4 81.68 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.297 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.66 -35.02 76.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.887 0.375 . . . . 0.0 110.711 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 22.6 t -76.3 -18.62 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.682 0.753 . . . . 0.0 109.247 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -94.1 46.01 1.16 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.77 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.81 -23.01 67.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.219 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -104.86 137.74 42.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -54.97 128.36 33.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.294 0.569 . . . . 0.0 111.887 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.6 tptp . . . . . 0 C--O 1.246 0.88 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.313 -179.702 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.885 0.374 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 27.5 mp0 -58.66 -33.52 70.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.321 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -59.95 -32.11 70.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.44 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.93 -48.17 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.429 ' HD2' HH11 ' B' ' 86' ' ' ARG . 20.6 ttt180 -66.5 -39.51 88.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.066 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.519 ' O ' HG23 ' B' ' 91' ' ' VAL . 3.6 mm-40 -60.03 -37.08 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.44 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.196 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -69.14 -31.42 70.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.761 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -63.99 -30.22 71.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.765 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 87' ' ' GLU . 88.2 t -73.91 -30.43 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.414 0.626 . . . . 0.0 109.642 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . 0.41 ' CE1' HG22 ' B' ' 108' ' ' VAL . 19.1 m-85 -76.5 -45.11 32.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.586 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -81.2 105.45 12.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.113 0.482 . . . . 0.0 109.82 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.815 ' HD2' ' HA2' ' A' ' 4' ' ' GLY . 33.5 mttt -93.25 12.13 25.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.994 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.548 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 18.8 t70 -122.23 -42.44 2.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.077 0.465 . . . . 0.0 111.886 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.2 43.03 3.59 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.58 -26.56 13.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.308 -0.446 . . . . 0.0 110.46 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.03 10.99 68.23 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.358 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' TYR . . . . . 0.442 ' CD1' ' HB3' ' B' ' 135' ' ' GLN . 70.9 m-85 -110.05 134.06 52.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.561 0.219 . . . . 0.0 110.715 -179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.4 pt -141.11 148.55 21.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.04 148.41 48.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.964 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.66 81.62 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.34 93.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.704 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.56 ' O ' HG23 ' B' ' 108' ' ' VAL . 0.8 OUTLIER -68.52 -36.2 78.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.718 179.69 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 11.0 tp -58.4 -51.21 70.8 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.597 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -65.04 -28.33 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.331 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -65.93 -34.67 78.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.264 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 104' ' ' GLU . 19.9 t -74.12 -43.16 51.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.731 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 91.1 mtp -57.11 -44.6 83.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 2.6 p -73.03 -33.72 65.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -64.62 -34.87 79.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.1 -27.36 68.87 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.371 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.71 20.81 38.95 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -70.53 131.61 44.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -86.89 75.09 9.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.168 0.509 . . . . 0.0 111.74 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -123.78 154.74 39.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.214 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 64.0 p -84.01 154.74 23.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.057 0.456 . . . . 0.0 111.402 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -64.28 -30.23 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.91 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 16.0 mp0 -62.08 -42.16 98.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.772 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' B' ' 124' ' ' MET . 34.3 mt-10 -62.28 -43.32 99.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.375 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 16.2 t -66.19 -39.36 84.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.32 -34.59 74.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.785 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 22.7 mt-10 -73.23 -35.31 66.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.418 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' B' ' 120' ' ' GLU . 44.4 mtt -64.89 -34.8 79.26 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.633 ' HA ' HD13 ' B' ' 130' ' ' ILE . 93.7 mt -65.34 -25.04 36.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.832 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -92.11 -1.84 56.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.606 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.44 -42.19 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.801 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.88 167.08 11.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.372 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -86.98 85.08 7.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.137 0.494 . . . . 0.0 111.998 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.633 HD13 ' HA ' ' B' ' 125' ' ' ILE . 1.8 mp -87.35 -64.92 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.805 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -95.65 164.5 12.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.4 -8.22 65.44 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . 0.601 ' O ' ' HB ' ' A' ' 109' ' ' VAL . 21.7 t70 -117.56 -94.19 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.985 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' GLY . . . . . 0.499 ' HA3' ' HA ' ' A' ' 106' ' ' ARG . . . 155.77 -26.71 0.58 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.361 -0.924 . . . . 0.0 112.857 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . 0.442 ' HB3' ' CD1' ' B' ' 99' ' ' TYR . 7.2 mm-40 -143.79 136.58 27.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.845 0.355 . . . . 0.0 111.072 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 17.2 t -107.55 134.09 50.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.043 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -77.35 120.49 22.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.907 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' TYR . . . . . 0.421 ' O ' HG23 ' B' ' 142' ' ' VAL . 0.8 OUTLIER -63.39 -35.08 79.24 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -178.349 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -57.38 -41.33 79.99 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.29 -50.61 70.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.848 0.356 . . . . 0.0 111.429 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -64.69 -34.83 79.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.617 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 138' ' ' TYR . 71.6 t -63.16 -45.59 98.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.31 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -66.3 -39.56 89.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.779 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . 0.408 ' O ' ' HG3' ' B' ' 148' ' ' LYS . 98.8 mtp -62.84 -47.56 82.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.22 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 19.4 ptp -69.09 -19.0 64.05 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.3 p -92.06 -7.18 49.44 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.859 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -116.55 23.5 11.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.087 0.47 . . . . 0.0 110.984 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 144' ' ' MET . 66.0 mttm . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.669 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.907 0 N-CA-C 112.212 -0.355 . . . . 0.0 112.212 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.609 ' HB3' ' HD1' ' B' ' 92' ' ' PHE . 32.1 Cg_exo -59.15 -55.38 1.93 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.071 2.514 . . . . 0.0 112.267 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.5 mt -86.12 25.27 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.196 0.522 . . . . 0.0 111.073 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.12 31.16 1.32 Allowed Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -56.15 25.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.084 0.469 . . . . 0.0 110.999 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -68.34 -36.06 78.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.656 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -63.38 -41.62 98.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.208 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 tpt -62.42 -44.61 96.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.985 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.91 -39.8 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.866 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.27 -42.99 87.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.54 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -67.2 -37.07 83.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.0 110.518 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -60.92 -52.8 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.26 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 p -68.22 -30.94 70.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.892 0.377 . . . . 0.0 111.105 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -64.27 -35.63 81.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.992 0.425 . . . . 0.0 110.372 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 -27.27 58.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.642 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.1 mmt -82.12 -22.36 36.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.265 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 t -92.03 -2.07 56.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.195 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -67.33 -25.1 65.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.069 0.461 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -94.25 4.51 53.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.287 0.565 . . . . 0.0 110.386 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.404 ' HE2' ' HG2' ' A' ' 44' ' ' LYS . 9.5 m-85 -118.21 101.54 8.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.57 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 23.9 mm-40 -70.25 158.26 36.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.412 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 52.7 t60 79.92 -47.39 0.34 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.738 -178.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 t -72.71 97.03 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.975 0.416 . . . . 0.0 110.243 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -107.04 100.64 10.12 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.119 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.465 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 65.5 mt -78.4 106.97 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.995 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -100.51 -45.65 5.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.476 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -146.64 166.96 24.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.381 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.401 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 62.7 m-85 -79.54 55.04 1.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.9 0.381 . . . . 0.0 111.123 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.574 ' HA ' ' HG2' ' A' ' 92' ' ' PRO . 33.2 t -162.38 -71.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.872 0.368 . . . . 0.0 111.299 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -48.31 74.12 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' A' ' 25' ' ' ILE . 1.8 m -76.68 -1.32 27.21 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.401 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.1 m95 -115.51 13.51 16.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.778 0.323 . . . . 0.0 110.245 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.1 p -66.45 -44.32 83.12 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.73 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.75 ' HB2' ' HG2' ' A' ' 36' ' ' MET . 0.0 OUTLIER -83.15 -16.04 48.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.162 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' HA2' ' HD2' ' A' ' 38' ' ' PHE . . . 80.39 -2.78 75.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.858 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.75 ' HG2' ' HB2' ' A' ' 34' ' ' SER . 80.9 mmm -56.54 -37.92 71.16 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.823 0.345 . . . . 0.0 111.153 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.88 -35.23 76.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.444 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.418 ' HD2' ' HA2' ' A' ' 35' ' ' GLY . 62.7 m-85 -64.95 -53.27 48.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.3 m -59.5 -40.35 86.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.005 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.46 81.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.09 -46.24 89.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.265 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.8 mm -63.38 -44.4 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.968 0.413 . . . . 0.0 110.647 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -66.41 -25.98 67.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.606 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -68.01 -26.18 65.76 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.699 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.61 ' HB3' HD13 ' A' ' 113' ' ' LEU . 85.4 m-85 -109.17 -29.55 8.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.517 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -116.83 89.0 27.63 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.853 0.359 . . . . 0.0 110.272 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.88 -22.48 56.07 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.803 2.336 . . . . 0.0 112.188 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -97.03 10.67 38.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.975 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.71 -62.36 1.48 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.147 0.499 . . . . 0.0 110.515 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -162.96 167.4 22.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.41 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.684 ' HB3' ' HB2' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -94.09 110.76 22.45 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.776 0.322 . . . . 0.0 110.99 -179.502 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -71.51 -31.56 67.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.071 0.463 . . . . 0.0 110.341 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.57 -20.61 64.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.165 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.684 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 0.6 OUTLIER -94.17 -2.76 52.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.885 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.7 mt -83.08 165.91 19.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.854 0.359 . . . . 0.0 111.188 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -154.36 141.18 13.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -50.26 -23.77 10.47 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.554 2.836 . . . . 0.0 113.74 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.19 67.77 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.122 0.487 . . . . 0.0 110.769 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -94.84 28.51 2.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.233 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -51.29 -42.36 61.09 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.51 -28.47 67.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.11 -19.64 21.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.592 0.234 . . . . 0.0 111.569 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -58.39 -46.39 86.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.603 ' HB2' HG13 ' A' ' 83' ' ' VAL . 80.3 m-85 -59.81 -46.03 90.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.901 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -50.47 73.04 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.9 tp -56.45 -47.61 78.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.258 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.71 -52.16 64.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.567 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -65.22 -57.23 9.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.1 m -55.21 -43.6 74.6 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.2 m -68.16 -39.04 82.7 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.593 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.53 95.12 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -67.4 -16.75 64.41 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.106 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -95.11 -41.46 9.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.855 0.36 . . . . 0.0 111.236 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.6 mt -80.87 -48.25 12.64 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -108.61 -23.64 11.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.0 t0 68.13 68.76 0.33 Allowed 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.838 0.711 . . . . 0.0 111.093 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.6 p -88.26 166.1 14.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.686 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.4 128.42 33.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.444 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -78.19 68.9 4.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.393 0.616 . . . . 0.0 110.947 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.4 mt -88.91 -4.39 58.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.373 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.7 mt -119.27 126.32 51.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.784 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.76 129.18 34.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.675 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.603 HG13 ' HB2' ' A' ' 64' ' ' PHE . 49.1 t -63.86 -68.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.404 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -57.57 -39.51 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.087 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -60.25 -41.81 93.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.709 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 80.7 mtp -71.26 -32.66 68.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.734 0.302 . . . . 0.0 110.811 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 83' ' ' VAL . 90.3 t -62.8 -51.32 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.253 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -68.22 -38.42 81.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.812 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.45 -45.03 81.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.562 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 72.81 -43.75 0.57 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.743 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 36.7 t -106.13 100.99 31.82 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.574 ' HG2' ' HA ' ' A' ' 29' ' ' SER . 77.9 Cg_endo -79.98 170.55 16.44 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.47 2.113 . . . . 0.0 111.817 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -99.41 135.83 40.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.437 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.5 m -60.03 -29.88 68.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.243 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.415 ' HG2' ' OD2' ' B' ' 95' ' ' ASP . 8.3 tmtm? -67.06 -41.65 86.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.233 0.54 . . . . 0.0 110.35 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.1 m -71.86 -39.9 69.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.602 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' ILE . 59.0 t -65.76 -45.68 91.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.491 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -55.71 -45.37 77.89 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 48.3 m -57.63 -43.49 84.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.477 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -68.6 -47.5 66.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.079 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 97' ' ' VAL . 44.4 mm -59.76 -39.92 81.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.08 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -60.33 -50.52 73.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.297 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.37 -35.38 80.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.672 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.43 -38.98 92.93 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.513 ' O ' HG23 ' A' ' 109' ' ' VAL . 23.2 t80 -67.85 -31.21 70.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.726 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.756 ' HD3' ' HB2' ' B' ' 135' ' ' GLN . 8.8 mtm180 -57.51 -44.51 85.08 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.745 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -73.7 -35.24 65.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.481 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.79 -31.41 72.38 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.535 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 105' ' ' TYR . 79.6 t -65.78 -52.87 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.39 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.509 ' HG2' ' H ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -65.46 -35.08 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.408 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -70.8 -30.35 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.114 0.483 . . . . 0.0 110.487 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.16 28.44 60.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.533 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.61 HD13 ' HB3' ' A' ' 45' ' ' PHE . 23.7 mt -81.51 -18.51 44.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.918 0.39 . . . . 0.0 111.456 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 26.0 t -82.21 -32.56 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.0 0.429 . . . . 0.0 110.805 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.416 ' HB2' ' HE2' ' A' ' 115' ' ' LYS . 7.3 ptmm? -83.9 33.31 0.48 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.83 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.4 t -101.69 -0.1 35.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.517 0.675 . . . . 0.0 110.268 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -82.48 -35.01 27.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.853 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -97.26 161.59 13.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.864 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.353 -0.832 . . . . 0.0 109.582 178.91 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.437 0.636 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.29 -34.3 70.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.02 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' B' ' 84' ' ' GLU . 28.4 mp0 -60.42 -35.88 76.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.53 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.2 mt -70.19 -43.13 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.056 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -64.29 -41.07 97.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.295 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.456 ' O ' HG23 ' B' ' 91' ' ' VAL . 96.7 mt-10 -64.14 -37.35 87.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.67 90.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.989 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -66.55 -33.46 75.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.339 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -69.72 -14.15 62.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.728 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 87' ' ' GLU . 72.6 t -69.87 -33.47 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . 0.609 ' HD1' ' HB3' ' A' ' 2' ' ' PRO . 76.7 m-85 -86.91 -15.21 39.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.135 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -92.64 100.79 13.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -74.36 26.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.415 ' OD2' ' HG2' ' A' ' 95' ' ' LYS . 25.6 t70 -159.03 -42.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.992 0.425 . . . . 0.0 111.454 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.89 54.49 0.92 Allowed Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -104.7 -32.49 8.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.767 0.318 . . . . 0.0 111.477 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . 0.61 ' HA2' ' CZ ' ' B' ' 138' ' ' TYR . . . 107.67 15.19 15.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.567 -0.825 . . . . 0.0 113.741 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -127.54 128.56 45.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.195 0.498 . . . . 0.0 111.626 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.701 HG12 ' HD2' ' B' ' 138' ' ' TYR . 20.6 pt -136.6 -179.78 3.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.433 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.67 153.77 34.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.229 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.67 -36.43 84.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.23 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.02 -46.6 80.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.138 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.526 ' O ' HG23 ' B' ' 108' ' ' VAL . 1.3 mp0 -61.41 -42.37 98.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.108 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 35.4 tp -53.51 -51.71 61.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.741 ' HD3' HD11 ' B' ' 125' ' ' ILE . 61.9 mtm180 -66.65 -36.27 82.16 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.188 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -64.52 -40.21 95.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.14 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 104' ' ' GLU . 78.4 t -67.71 -41.92 85.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.906 0.384 . . . . 0.0 110.145 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 99.2 mtp -59.27 -42.27 90.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.503 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.82 -35.71 62.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.0 0.428 . . . . 0.0 110.717 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -64.6 -31.28 72.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 108' ' ' VAL . 86.8 mt -67.66 -19.4 65.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.182 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.67 22.59 33.33 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.203 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -68.47 132.29 46.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.959 0.409 . . . . 0.0 110.595 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' B' ' 115' ' ' LYS . 19.2 mtmt -92.62 63.37 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.029 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.429 HD23 ' H ' ' B' ' 116' ' ' LEU . 2.3 pt? -118.48 141.17 48.83 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.966 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . 0.435 ' O ' HG23 ' B' ' 121' ' ' VAL . 57.7 p -73.31 158.58 34.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.864 0.364 . . . . 0.0 111.079 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -30.67 69.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -62.61 -43.11 99.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.175 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.61 -38.81 90.5 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.531 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 117' ' ' THR . 14.1 t -65.54 -44.96 93.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -59.11 -41.69 88.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.401 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -61.92 -44.46 96.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.522 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 69.0 mtt -62.6 -36.08 81.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.705 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.741 HD11 ' HD3' ' B' ' 106' ' ' ARG . 96.8 mt -62.48 -43.23 98.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.735 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -75.93 -14.55 60.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.916 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -87.8 -8.16 56.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.479 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -128.94 -176.05 3.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.718 0.294 . . . . 0.0 111.138 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -91.41 96.25 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.422 0.63 . . . . 0.0 110.529 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' B' ' 125' ' ' ILE . 58.2 mt -132.64 -59.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.214 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.42 108.38 13.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.602 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 115.61 -6.76 20.43 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.13 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . 0.639 ' OD2' ' HD2' ' A' ' 106' ' ' ARG . 2.9 t70 -108.42 -160.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.778 0.289 . . . . 0.0 110.821 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -113.3 -38.19 1.25 Allowed Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.719 -0.753 . . . . 0.0 113.672 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . 0.756 ' HB2' ' HD3' ' A' ' 106' ' ' ARG . 15.5 mm-40 -139.79 156.38 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.014 0.407 . . . . 0.0 110.163 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 24.9 t -116.2 130.46 70.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.32 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 0.2 OUTLIER -80.13 118.17 21.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.476 178.715 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' TYR . . . . . 0.701 ' HD2' HG12 ' B' ' 100' ' ' ILE . 7.9 p90 -78.64 -22.82 46.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.45 -41.58 89.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 111.126 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -57.86 -45.22 86.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.891 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -64.06 -37.25 86.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.384 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 138' ' ' TYR . 95.5 t -62.96 -44.82 99.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -68.48 -33.86 74.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.841 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 65.1 mtp -68.66 -40.69 80.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.369 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 20.5 ptp -78.69 -12.96 60.04 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.7 p -94.69 -26.41 16.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.932 0.396 . . . . 0.0 111.208 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.7 -12.88 59.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.981 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 54.4 mttm . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.582 -179.676 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.434 ' HB3' ' CE2' ' B' ' 92' ' ' PHE . 31.6 Cg_exo -61.71 -33.68 85.32 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.878 2.386 . . . . 0.0 111.996 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.433 ' HA ' ' HE3' ' B' ' 94' ' ' LYS . 73.6 mt -102.0 86.99 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.658 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.673 ' HA2' ' HG3' ' B' ' 94' ' ' LYS . . . 131.4 71.41 0.1 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.488 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p -71.52 -28.42 63.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.782 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -65.49 -36.6 84.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.328 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -63.49 -29.4 70.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.441 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.9 tpt -66.98 -46.09 75.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.22 -37.31 72.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.976 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.4 tp -60.19 -50.43 73.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.63 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -63.49 -45.98 88.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.31 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -55.86 -49.93 72.0 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.1 t -68.02 -47.17 69.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.425 ' HA ' HD12 ' A' ' 25' ' ' ILE . 33.1 ttm180 -55.54 -42.81 75.14 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.17 99.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.9 ttm -80.37 -37.02 33.13 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -76.59 -10.31 59.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.742 0.306 . . . . 0.0 111.154 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -60.85 -23.31 65.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.454 0.645 . . . . 0.0 110.231 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -68.63 -24.79 64.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.0 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.47 ' CE2' ' HD3' ' A' ' 44' ' ' LYS . 57.1 m-85 -92.64 120.9 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.05 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 22.1 mp0 -78.43 151.85 32.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.096 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.434 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 12.5 t-80 74.92 -10.05 1.27 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.637 0.586 . . . . 0.0 111.711 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.8 t -110.72 84.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.184 0.516 . . . . 0.0 110.2 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.35 153.22 18.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.132 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 14' ' ' ARG . 44.5 mt -120.01 107.64 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.941 0.4 . . . . 0.0 111.26 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -92.38 -58.54 2.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.683 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -150.36 167.94 25.57 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.457 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 74.8 m-85 -77.88 50.22 0.84 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.845 0.355 . . . . 0.0 111.309 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 m -152.47 -79.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.674 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -60.99 -47.5 86.15 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -11.26 58.13 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.457 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 61.0 m95 -104.74 -3.39 23.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.635 0.255 . . . . 0.0 111.544 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.3 m -69.11 -21.45 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.134 0.492 . . . . 0.0 110.943 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.1 p -82.44 -22.23 35.34 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.374 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.485 ' HA2' ' HD2' ' A' ' 38' ' ' PHE . . . 77.69 -9.78 27.98 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.758 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.9 mmm -66.45 -25.57 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 111.78 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.15 71.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.051 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.485 ' HD2' ' HA2' ' A' ' 35' ' ' GLY . 75.9 m-85 -63.48 -55.83 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.976 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.514 ' SG ' ' HE1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -65.77 -31.55 72.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.767 -179.341 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.64 -49.85 75.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.869 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.2 tp -64.36 -40.14 95.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 38' ' ' PHE . 47.8 mm -64.76 -47.37 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -68.82 -27.44 65.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.337 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.47 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 40.5 tptt -64.54 -30.8 71.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -96.74 -43.29 7.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -112.75 101.1 52.41 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.94 -35.15 15.81 Favored 'Trans proline' 0 CA--C 1.527 0.16 0 C-N-CA 122.977 2.451 . . . . 0.0 112.357 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -80.65 3.62 21.42 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.01 -56.88 13.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.896 0.379 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -171.34 165.32 7.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.018 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.404 ' HB2' ' HG2' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -88.1 101.48 13.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.233 0.54 . . . . 0.0 110.654 179.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.514 ' HE1' ' SG ' ' A' ' 39' ' ' CYS . 48.9 t80 -65.32 -32.99 74.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.259 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.3 -10.05 57.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.23 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' HG2' ' HB2' ' A' ' 51' ' ' ASP . 69.8 mm-40 -105.06 9.37 34.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.58 0.229 . . . . 0.0 111.395 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 68.9 mt -87.36 151.0 23.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.792 0.329 . . . . 0.0 111.402 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.593 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 16.2 m-20 -125.88 147.28 58.34 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.422 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.465 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 29.2 Cg_endo -64.91 -25.93 59.51 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.66 2.24 . . . . 0.0 111.484 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.98 -6.3 55.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.496 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.593 ' HD2' ' HB2' ' A' ' 56' ' ' ASP . 81.6 mttt -110.86 26.49 10.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.314 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 57' ' ' PRO . 43.2 mtm180 -56.43 -36.77 69.36 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.988 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -58.73 -42.92 89.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.102 0.477 . . . . 0.0 110.36 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -34.73 57.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.494 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -57.24 -48.01 79.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.487 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.538 ' HB2' HG13 ' A' ' 83' ' ' VAL . 30.1 m-85 -58.69 -49.23 78.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.8 0.333 . . . . 0.0 110.779 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.9 m -61.55 -45.02 95.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.419 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.4 tp -56.25 -46.34 79.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.483 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.02 -49.03 71.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.447 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -65.76 -43.87 87.6 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.1 p -63.86 -54.1 40.24 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.4 m -59.54 -36.74 76.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.554 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.91 97.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 0.0 110.042 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -71.86 -32.73 67.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.519 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -74.65 -17.31 60.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.454 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.2 mt -106.21 -45.93 4.19 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.09 9.97 7.48 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 50.24 54.27 11.4 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.207 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 57.9 m -67.15 140.07 57.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.696 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.5 139.22 58.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.023 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -77.05 80.4 3.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.962 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 100' ' ' TYR . 44.4 mt -96.48 1.07 51.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.194 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.5 mt -144.34 142.73 30.58 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.142 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -106.24 140.88 38.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 64' ' ' PHE . 53.0 t -64.25 -52.25 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.415 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.88 -51.71 68.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.795 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -58.55 -38.56 78.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.644 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -40.53 96.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.336 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 83' ' ' VAL . 40.5 t -74.49 -32.73 30.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.295 0.569 . . . . 0.0 109.948 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 88' ' ' ARG . 14.4 ttp85 -69.15 -54.59 14.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.1 mt -74.02 -33.64 63.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.593 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 73.81 -58.71 0.58 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.319 0.648 . . . . 0.0 111.306 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.2 t -98.44 111.06 59.02 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -77.41 161.74 31.35 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.683 2.256 . . . . 0.0 112.37 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.4 150.69 24.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.697 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -61.56 -37.1 82.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -62.69 -44.48 96.12 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.824 0.345 . . . . 0.0 111.243 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.9 m -61.21 -33.42 73.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.73 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 20.9 t -83.73 -39.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.95 0.405 . . . . 0.0 110.145 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -56.17 -51.85 66.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.227 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.464 HG23 HD13 ' A' ' 80' ' ' LEU . 7.1 t -66.82 -27.01 67.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.804 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.531 ' HA ' HD12 ' A' ' 80' ' ' LEU . 37.4 t80 -73.76 -47.72 36.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.906 0.384 . . . . 0.0 110.42 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.9 mm -68.14 -33.96 63.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -57.1 -52.88 63.5 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.289 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -67.4 -35.49 79.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.245 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 60.1 tp -62.98 -46.46 87.58 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.51 ' O ' HG23 ' A' ' 109' ' ' VAL . 60.7 t80 -59.3 -42.79 92.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.008 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.592 ' HA ' ' HA3' ' B' ' 134' ' ' GLY . 6.2 ttm-85 -60.75 -38.34 84.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.394 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.7 m -70.13 -27.76 64.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.754 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 43.3 mt -82.08 -29.18 31.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.644 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 105' ' ' TYR . 76.8 t -65.33 -51.42 64.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.9 0.381 . . . . 0.0 110.818 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.47 -11.87 58.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.561 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.482 ' HB3' ' HG ' ' A' ' 113' ' ' LEU . 37.0 mmtt -99.29 -8.3 25.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.699 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 68.2 14.21 65.91 Favored Glycine 0 C--O 1.228 -0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.741 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.482 ' HG ' ' HB3' ' A' ' 111' ' ' LYS . 76.6 mt -73.09 -29.79 63.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.934 0.397 . . . . 0.0 111.475 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.2 t -68.27 -38.48 79.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.033 0.445 . . . . 0.0 109.85 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -91.74 75.68 5.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.125 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -25.65 66.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.359 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -97.38 132.33 43.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -62.78 109.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.043 0.449 . . . . 0.0 111.72 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.4 tptp . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.018 179.657 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -55.2 -35.94 65.4 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.941 0.4 . . . . 0.0 111.272 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -58.7 -41.32 86.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.972 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 34.9 mt -64.68 -44.9 96.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.034 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.634 ' HG3' ' HE2' ' B' ' 138' ' ' TYR . 31.3 ttt180 -62.95 -40.45 97.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.136 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.508 ' O ' HG23 ' B' ' 91' ' ' VAL . 18.3 mm-40 -64.75 -45.56 85.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.42 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.79 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.573 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -66.22 -32.25 73.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.841 0.353 . . . . 0.0 110.971 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -72.8 -22.37 60.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.737 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 87' ' ' GLU . 92.5 t -65.34 -33.31 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.105 0.478 . . . . 0.0 110.453 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 2' ' ' PRO . 7.1 m-85 -73.33 -30.43 63.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.136 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -72.92 110.77 7.47 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.673 ' HG3' ' HA2' ' A' ' 4' ' ' GLY . 55.0 mmtt -85.31 23.57 1.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -150.27 -41.87 0.13 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.969 0.414 . . . . 0.0 111.348 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.42 64.43 0.7 Allowed Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.0 -33.67 3.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.573 0.225 . . . . 0.0 110.932 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.08 12.1 32.51 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.392 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' B' ' 135' ' ' GLN . 10.3 m-85 -119.47 116.54 26.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.726 0.298 . . . . 0.0 110.874 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.444 HD11 HD12 ' B' ' 105' ' ' LEU . 25.0 pt -125.47 172.29 13.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.847 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.72 146.41 26.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.579 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.09 83.25 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.83 -44.04 97.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.536 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.523 ' O ' HG23 ' B' ' 108' ' ' VAL . 1.7 mp0 -68.34 -34.33 75.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.83 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.444 HD12 HD11 ' B' ' 100' ' ' ILE . 0.9 OUTLIER -61.63 -46.45 89.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.053 0.454 . . . . 0.0 110.306 179.117 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.507 ' HD3' HD11 ' B' ' 125' ' ' ILE . 45.1 mtm180 -66.44 -29.86 70.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.051 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -65.52 -34.37 78.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.557 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.523 HG23 ' O ' ' B' ' 104' ' ' GLU . 41.9 t -70.17 -43.89 78.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.955 0.407 . . . . 0.0 110.107 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 96.0 mtp -59.3 -43.79 92.57 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.563 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.04 -28.97 64.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.173 0.511 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -71.83 -44.56 63.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.755 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.64 -31.8 73.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.282 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.53 42.72 3.59 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.446 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -77.08 125.12 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -79.7 64.57 4.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.097 0.475 . . . . 0.0 111.513 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 7.5 tp -119.57 146.21 45.7 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.495 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 60.5 p -79.74 150.49 30.8 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 121.114 -0.234 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.33 -33.15 67.43 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.223 0.535 . . . . 0.0 110.131 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -64.1 -41.84 97.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.448 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -66.57 -39.58 88.55 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.987 0.423 . . . . 0.0 110.392 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.34 -42.6 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.459 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -37.61 86.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.329 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.45 -44.11 97.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.46 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' MET . . . . . 0.434 ' HE2' ' HD2' ' B' ' 148' ' ' LYS . 62.0 mtt -63.95 -39.38 94.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.761 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.693 HG23 HG13 ' B' ' 130' ' ' ILE . 37.8 mt -59.66 -38.88 77.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.573 178.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 126' ' ' ARG . 32.9 mtt180 -73.36 -24.35 60.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.969 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -87.01 -22.37 25.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.67 0.272 . . . . 0.0 111.399 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.31 177.09 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.922 0.391 . . . . 0.0 111.193 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -87.53 90.14 8.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.693 HG13 HG23 ' B' ' 125' ' ' ILE . 41.7 mm -108.73 -90.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -82.44 115.47 21.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.628 0.251 . . . . 0.0 110.573 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 123.27 -18.93 7.75 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.377 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -96.15 -83.23 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.845 0.323 . . . . 0.0 111.346 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' GLY . . . . . 0.592 ' HA3' ' HA ' ' A' ' 106' ' ' ARG . . . 148.05 -37.07 1.1 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.405 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . 0.529 ' HG2' ' HB2' ' A' ' 106' ' ' ARG . 72.4 mm-40 -127.12 129.56 48.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.745 0.273 . . . . 0.0 110.35 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 46.3 t -101.64 126.82 55.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.968 0.413 . . . . 0.0 111.443 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -83.42 129.27 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.237 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' TYR . . . . . 0.634 ' HE2' ' HG3' ' B' ' 86' ' ' ARG . 16.6 p90 -72.51 -39.94 67.21 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -60.76 -35.84 77.41 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -52.75 -54.39 34.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.561 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -66.32 -35.14 79.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.792 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 138' ' ' TYR . 81.1 t -61.35 -47.25 94.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.2 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -69.56 -29.72 67.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.585 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 93.0 mtp -70.96 -41.3 71.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.772 0.32 . . . . 0.0 110.719 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 20.2 ptp -76.78 -23.14 52.91 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 2.4 p -81.26 -23.2 38.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.815 0.341 . . . . 0.0 111.85 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -90.23 -0.65 57.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.599 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . 0.434 ' HD2' ' HE2' ' B' ' 124' ' ' MET . 66.0 mttm . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.823 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.893 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.81 -38.53 85.45 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.291 2.661 . . . . 0.0 113.49 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.4 mt -108.61 -35.45 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.084 0.468 . . . . 0.0 111.178 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.31 56.31 5.06 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.838 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.629 ' HB3' ' HE3' ' B' ' 94' ' ' LYS . 12.7 t -69.41 -77.54 0.08 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.625 0.25 . . . . 0.0 110.848 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.525 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 35.5 ttmt -62.78 -33.19 74.66 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.076 0.465 . . . . 0.0 110.607 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -61.07 -38.56 86.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.995 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.4 tpt -58.9 -49.36 78.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.515 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 98' ' ' TYR . 23.5 mt -63.55 -30.65 71.74 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.85 -47.79 73.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.073 0.463 . . . . 0.0 109.959 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -70.55 -36.07 73.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.107 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -56.83 -54.15 49.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.641 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.2 p -68.15 -37.88 81.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.199 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.1 ttp85 -62.34 -42.17 99.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.65 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.51 -31.2 70.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.178 0.513 . . . . 0.0 110.958 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.5 mmt -74.07 -22.54 59.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.775 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.43 HG22 ' HB2' ' A' ' 20' ' ' TYR . 1.8 m -102.33 12.68 36.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.443 0.64 . . . . 0.0 110.506 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -69.88 -25.35 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -92.98 21.0 6.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.26 0.552 . . . . 0.0 110.905 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.43 ' HB2' HG22 ' A' ' 17' ' ' THR . 40.5 m-85 -119.59 152.9 36.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.92 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -108.08 149.06 28.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.445 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . 0.257 0.0 OUTLIER 65.18 -2.19 0.79 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.7 t -113.16 86.57 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.229 0.538 . . . . 0.0 110.008 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -105.84 108.67 20.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.392 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.8 mt -82.44 98.83 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.201 0.524 . . . . 0.0 110.683 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -100.04 -37.21 9.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.83 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -138.95 166.1 25.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -88.63 33.97 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 111.538 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.2 m -148.35 -60.41 0.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.181 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -50.71 71.43 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 m -78.1 0.88 23.04 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -117.78 9.08 12.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 0.0 111.383 -179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 p -66.27 -42.88 87.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.317 0.58 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 p -81.94 -15.24 54.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.754 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.97 4.86 78.74 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.145 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mmt -62.43 -37.01 84.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.719 0.295 . . . . 0.0 111.065 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.91 76.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.473 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -61.86 -53.04 61.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.169 0.509 . . . . 0.0 109.791 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.0 m -62.34 -40.04 95.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.264 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.86 97.96 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.3 tp -66.72 -48.25 69.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.337 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.62 -39.67 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.053 0.454 . . . . 0.0 110.579 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -65.76 -23.15 66.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.595 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -73.14 -22.55 60.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 111.212 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -107.43 -36.31 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.869 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -116.92 99.81 53.09 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.768 0.318 . . . . 0.0 111.113 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -73.06 -26.18 15.33 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.968 2.446 . . . . 0.0 112.031 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -88.52 -1.31 57.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.397 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.568 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -64.41 -68.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.938 0.399 . . . . 0.0 111.127 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -160.15 159.25 31.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.126 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -89.7 105.06 17.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.056 0.455 . . . . 0.0 110.636 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -65.06 -32.98 74.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.395 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.69 -19.92 66.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.15 8.34 42.75 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.099 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.8 mt -86.94 134.41 33.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.95 0.405 . . . . 0.0 111.276 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -115.6 134.38 22.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.511 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -54.82 -21.43 25.83 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.062 2.508 . . . . 0.0 112.647 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.32 -23.51 67.32 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.988 0.423 . . . . 0.0 110.536 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -99.24 31.43 3.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.977 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -54.89 -39.46 68.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.565 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -13.58 60.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.937 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -105.23 -19.6 13.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.041 0.448 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -41.56 99.3 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.709 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.723 ' HB2' HG13 ' A' ' 83' ' ' VAL . 58.5 m-85 -60.47 -47.44 86.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.749 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.53 -45.98 91.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.717 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.01 -49.17 77.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.786 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.96 65.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.449 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -62.46 -56.61 16.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.3 m -53.92 -40.1 66.4 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.568 HG21 ' HB1' ' A' ' 49' ' ' ALA . 19.4 m -68.88 -44.03 74.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.407 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.43 -35.48 80.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.129 0.49 . . . . 0.0 110.197 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.64 -16.5 62.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.094 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -101.16 -45.97 5.21 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.4 mt -80.67 -37.14 31.38 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.79 -9.54 13.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.4 t70 57.59 51.69 9.26 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.488 0.661 . . . . 0.0 110.658 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.6 p -79.6 145.1 33.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.966 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.89 125.59 29.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.785 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.92 85.5 1.27 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.526 0.679 . . . . 0.0 111.932 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.2 mt -87.8 4.9 42.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.817 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.0 mt -142.28 144.42 33.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.32 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 85' ' ' ASP . 13.2 mt-10 -99.39 128.5 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.189 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.723 HG13 ' HB2' ' A' ' 64' ' ' PHE . 88.9 t -52.26 -57.37 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.797 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.57 -39.73 81.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.732 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.564 ' HB2' ' HB2' ' A' ' 82' ' ' GLU . 2.0 t0 -62.3 -41.0 98.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.008 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.443 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 85.1 mtp -68.69 -31.69 70.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.972 0.415 . . . . 0.0 110.658 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 83' ' ' VAL . 93.8 t -70.63 -46.9 67.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.418 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -68.75 -44.15 74.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.334 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.99 -32.03 63.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.568 0.223 . . . . 0.0 111.321 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 74.89 -51.57 0.67 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.38 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.3 t -98.74 112.29 62.34 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.722 0.296 . . . . 0.0 110.788 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -82.24 137.75 9.62 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.669 2.246 . . . . 0.0 111.575 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.485 ' HB2' ' SG ' ' A' ' 96' ' ' CYS . 4.4 m-20 -64.63 132.03 48.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.186 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.8 m -57.24 -36.05 70.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.576 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -62.07 -54.19 44.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 93' ' ' ASP . 11.7 m -57.7 -41.49 81.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.57 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' ILE . 88.5 t -65.76 -45.08 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.961 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.53 ' CE1' HD12 ' A' ' 9' ' ' LEU . 89.2 t80 -59.81 -47.91 83.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.844 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.0 m -57.11 -42.04 80.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -64.59 -46.48 82.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.437 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 97' ' ' VAL . 46.6 mm -65.47 -37.6 80.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -58.74 -47.34 84.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.384 . . . . 0.0 111.12 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -72.45 -36.13 68.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.537 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.27 -33.23 75.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.309 0.576 . . . . 0.0 109.881 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.508 ' O ' HG23 ' A' ' 109' ' ' VAL . 50.0 t80 -62.0 -34.22 75.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.133 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -61.27 -46.21 91.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.545 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -61.15 -31.08 70.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.0 mt -75.99 -27.27 57.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 105' ' ' TYR . 96.2 t -70.86 -51.14 38.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.147 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -65.25 -25.54 67.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.596 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.471 ' HB3' ' HG ' ' A' ' 113' ' ' LEU . 13.2 tptp -83.26 -6.23 59.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.377 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.59 27.6 73.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.524 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.471 ' HG ' ' HB3' ' A' ' 111' ' ' LYS . 96.7 mt -90.69 -25.22 20.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.746 0.307 . . . . 0.0 111.577 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.03 -42.77 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.015 0.436 . . . . 0.0 111.449 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -83.16 26.61 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.918 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.3 t -71.16 -14.54 62.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.036 0.446 . . . . 0.0 110.824 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -88.43 -5.0 58.53 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.075 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -111.24 150.96 28.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.405 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.425 -179.852 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 121.043 0.449 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' B' ' 87' ' ' GLU . 58.2 mp0 -63.95 -35.02 79.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.848 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -58.16 -30.81 66.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.933 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 86.9 mt -67.92 -48.16 76.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.701 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 86' ' ' ARG . 21.1 ttt180 -66.71 -37.67 85.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.614 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.457 ' O ' HG23 ' B' ' 91' ' ' VAL . 63.1 mt-10 -60.21 -33.38 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.05 -41.62 58.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.044 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.446 ' HE1' HD12 ' B' ' 105' ' ' LEU . 18.6 m-85 -65.56 -35.43 80.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.18 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' B' ' 90' ' ' ARG . 8.5 ttt180 -66.74 -19.38 65.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.435 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 87' ' ' GLU . 95.2 t -71.12 -33.69 52.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.978 0.418 . . . . 0.0 110.049 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . 0.418 ' CE1' HG22 ' B' ' 108' ' ' VAL . 27.5 m-85 -74.77 -26.37 59.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.1 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -80.92 139.39 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.629 ' HE3' ' HB3' ' A' ' 5' ' ' SER . 0.2 OUTLIER -112.34 8.18 19.52 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.54 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -139.85 -34.35 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.784 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.17 35.87 3.53 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -88.91 -29.47 19.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.502 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . 0.436 ' HA2' ' CE2' ' B' ' 138' ' ' TYR . . . 89.05 20.69 45.16 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.394 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' TYR . . . . . 0.486 ' CE1' ' HB3' ' B' ' 137' ' ' ASN . 47.0 m-85 -128.74 127.11 41.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.757 0.313 . . . . 0.0 111.683 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.0 pt -134.82 179.59 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.952 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 43.0 p -91.99 166.48 12.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.747 0.308 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.48 -34.59 76.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.403 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.35 84.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.112 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.527 ' O ' HG23 ' B' ' 108' ' ' VAL . 2.6 mp0 -69.1 -47.95 63.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.536 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.446 HD12 ' HE1' ' B' ' 89' ' ' PHE . 6.6 tp -51.54 -48.36 63.06 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.39 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -28.95 69.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.913 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -77.51 -26.76 51.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.132 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 104' ' ' GLU . 11.6 t -69.3 -42.68 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 96.2 mtp -59.82 -42.38 93.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.105 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -43.8 72.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.734 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -66.96 -21.22 65.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.43 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.89 -16.41 61.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.44 11.99 43.03 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.321 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -69.81 137.22 51.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.902 0.382 . . . . 0.0 110.42 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -100.16 16.24 24.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.336 0.589 . . . . 0.0 110.214 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 tp -68.9 134.89 50.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.945 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 39.4 p -70.96 157.39 38.27 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.035 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -58.99 -35.53 73.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.234 0.54 . . . . 0.0 109.69 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 2.7 mp0 -61.42 -43.72 98.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.521 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -63.16 -35.49 80.46 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.973 0.416 . . . . 0.0 110.624 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 39.0 t -74.36 -39.24 48.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' B' ' 126' ' ' ARG . 37.4 t70 -58.27 -37.53 75.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.063 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 52.2 mt-10 -62.48 -41.48 98.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.342 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mtt -66.77 -37.63 84.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.269 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.712 HG23 HD12 ' B' ' 130' ' ' ILE . 95.3 mt -64.72 -30.27 49.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.245 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' B' ' 122' ' ' ASP . 91.7 mtt-85 -84.56 -0.66 54.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.844 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' B' ' 123' ' ' GLU . 45.3 mt-10 -115.36 11.46 16.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.96 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -139.57 159.19 42.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.654 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -76.66 93.38 3.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.755 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.712 HD12 HG23 ' B' ' 125' ' ' ILE . 30.3 mt -126.52 -63.94 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.801 0.334 . . . . 0.0 111.086 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -71.48 108.71 5.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.763 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 105.51 12.63 26.24 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.55 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -117.4 -84.13 0.64 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.526 -0.397 . . . . 0.0 111.59 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 159.9 -50.99 0.37 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.853 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -143.72 149.79 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.898 0.349 . . . . 0.0 111.213 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -119.99 146.39 24.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.128 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . 0.486 ' HB3' ' CE1' ' B' ' 99' ' ' TYR . 27.3 p-10 -94.28 133.91 37.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' TYR . . . . . 0.436 ' CE2' ' HA2' ' B' ' 98' ' ' GLY . 43.8 p90 -69.36 -17.2 63.67 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -54.06 -53.18 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.564 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -60.73 -48.26 82.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -60.0 -42.92 95.3 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.42 -42.4 93.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -67.58 -37.92 83.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.207 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 82.9 mtp -67.79 -43.38 79.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.32 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 19.8 ptp -71.69 -18.31 62.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.8 p -91.46 -17.43 25.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.813 0.34 . . . . 0.0 111.263 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.15 -0.05 50.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.561 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 40.0 mttm . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.867 179.53 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.593 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.48 150.19 75.2 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.666 2.244 . . . . 0.0 111.79 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt -130.46 136.54 49.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.731 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.49 ' HA3' ' HD2' ' B' ' 94' ' ' LYS . . . 95.32 89.86 1.74 Allowed Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.645 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -27.34 69.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.99 0.424 . . . . 0.0 111.499 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.541 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 23.0 ptmt -63.92 -19.02 64.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.023 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -67.23 -30.21 70.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.96 0.41 . . . . 0.0 110.695 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.3 tpt -64.02 -52.95 57.08 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.324 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.462 HD12 ' CE1' ' A' ' 98' ' ' TYR . 40.6 mt -67.18 -34.32 77.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.22 -50.2 74.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.446 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -66.67 -43.53 84.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.62 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -61.28 -49.24 77.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.514 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.7 t -66.82 -41.96 86.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.652 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -64.08 -34.79 78.84 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.875 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.39 -16.72 64.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.227 0.537 . . . . 0.0 110.872 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.8 mmt -93.33 -39.06 11.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.693 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 p -77.81 -22.92 49.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.763 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -10.75 27.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.044 0.45 . . . . 0.0 111.41 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -81.36 -11.36 59.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.411 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -104.55 -169.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.307 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -135.08 150.76 50.3 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 74.51 -12.56 0.89 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.086 0.47 . . . . 0.0 110.829 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.1 t -115.65 90.43 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.069 0.461 . . . . 0.0 111.317 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -118.31 133.54 55.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.792 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.6 mt -88.39 104.84 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.249 0.547 . . . . 0.0 111.719 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -103.09 -48.53 4.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.295 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -142.78 145.06 32.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.119 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -61.66 -20.05 62.99 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 m -107.47 -41.17 5.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.773 0.32 . . . . 0.0 111.588 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -74.59 -29.99 61.53 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -97.79 -9.09 27.13 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -107.56 9.48 29.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.807 0.337 . . . . 0.0 111.551 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -71.89 -31.97 66.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.442 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.52 -29.31 56.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.35 -15.47 61.18 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.351 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.441 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 94.1 mmm -61.12 -24.59 66.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.809 0.338 . . . . 0.0 111.725 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.65 81.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.435 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -65.44 -50.82 63.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.971 0.415 . . . . 0.0 110.78 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -62.53 -35.59 79.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.44 -179.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.42 97.48 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.801 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.1 tp -72.19 -42.55 65.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.34 -42.2 94.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.955 0.407 . . . . 0.0 110.399 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -65.94 -24.59 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.879 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.12 -36.22 81.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.219 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' O ' ' HD3' ' A' ' 47' ' ' PRO . 90.4 m-85 -98.8 -40.88 7.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.776 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -111.56 95.22 26.25 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.781 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' A' ' 45' ' ' PHE . 13.5 Cg_exo -71.81 -27.7 17.62 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.848 2.365 . . . . 0.0 111.97 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -82.19 -11.5 58.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.51 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.622 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -55.67 -61.14 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.93 0.395 . . . . 0.0 111.483 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -167.0 154.94 9.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.535 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -80.23 121.26 25.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.943 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -73.81 -27.52 61.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.303 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.5 -22.21 57.35 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.158 0.504 . . . . 0.0 110.413 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -91.6 4.34 52.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.79 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.5 mt -101.39 138.49 38.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.431 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.409 ' OD2' ' HB3' ' A' ' 58' ' ' ALA . 4.0 p-10 -122.69 152.5 62.16 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.621 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 56' ' ' ASP . 24.5 Cg_exo -63.68 -27.96 68.87 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.011 2.474 . . . . 0.0 114.357 -178.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.409 ' HB3' ' OD2' ' A' ' 56' ' ' ASP . . . -65.69 -33.62 76.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.951 0.405 . . . . 0.0 110.823 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -84.88 29.27 0.64 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.726 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -53.29 -34.32 56.86 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.628 ' HG2' HG21 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -66.18 -39.56 89.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.119 0.485 . . . . 0.0 110.464 179.544 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -79.78 -33.1 40.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.835 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -59.87 -50.64 72.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.502 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.527 ' CB ' HG13 ' A' ' 83' ' ' VAL . 6.3 m-85 -57.87 -47.34 83.02 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.978 178.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.451 ' OG1' HG11 ' A' ' 83' ' ' VAL . 14.3 m -59.77 -48.62 80.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.758 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.6 tp -60.3 -46.47 89.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.405 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.26 -50.65 69.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.31 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -59.69 -46.96 87.48 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.457 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 16.9 p -63.79 -48.98 74.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.722 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.622 HG21 ' HB1' ' A' ' 49' ' ' ALA . 13.3 m -62.34 -34.39 76.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.343 . . . . 0.0 110.815 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.61 73.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.123 0.487 . . . . 0.0 110.193 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 76' ' ' ASP . 46.9 tt0 -87.11 -38.38 16.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.002 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 69' ' ' SER . 29.8 mmtp -69.72 -33.48 72.54 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 74.0 mt -107.0 -34.96 7.02 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.57 -5.32 17.61 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.42 ' HA ' ' O ' ' A' ' 72' ' ' GLU . 19.9 m-20 61.98 28.27 17.16 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.456 0.472 . . . . 0.0 111.741 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.0 t -62.7 159.74 15.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.009 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.82 131.51 44.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.902 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -76.59 84.71 3.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.001 0.429 . . . . 0.0 110.144 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 82.7 mt -86.88 -10.75 52.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.522 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.9 mt -135.5 154.51 51.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.124 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.14 142.18 34.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.867 0.365 . . . . 0.0 110.776 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.527 HG13 ' CB ' ' A' ' 64' ' ' PHE . 78.9 t -60.14 -58.93 5.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.499 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.68 -37.38 78.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.651 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.03 -50.52 71.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.436 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.3 mtp -62.86 -37.38 86.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.5 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.628 HG21 ' HG2' ' A' ' 61' ' ' ARG . 69.4 t -66.85 -41.21 87.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.861 0.363 . . . . 0.0 110.289 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -66.18 -50.41 64.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.909 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.03 -42.97 88.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . 70.15 -5.05 1.38 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.448 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.4 t -137.16 102.08 9.12 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -80.88 156.38 20.6 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.535 2.157 . . . . 0.0 112.286 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' OD2' ' HB3' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -87.66 135.78 33.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 179.574 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.1 m -58.56 -37.22 75.27 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.45 ' HB3' ' OD2' ' A' ' 93' ' ' ASP . 38.9 ttmt -64.56 -50.09 68.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.325 . . . . 0.0 111.023 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 33.9 m -60.94 -43.85 98.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.007 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 101' ' ' ILE . 91.4 t -64.25 -39.82 86.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.525 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.541 ' CE1' ' HA ' ' A' ' 6' ' ' LYS . 46.6 t80 -58.35 -45.01 88.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.3 m -65.14 -38.49 90.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.351 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -62.55 -44.26 96.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.602 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 97' ' ' VAL . 47.3 mm -69.18 -36.88 75.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.469 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -54.55 42.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.386 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -62.16 -33.87 75.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 57.9 tp -67.18 -47.98 69.32 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -60.6 -43.75 97.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.613 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -55.03 -46.77 75.3 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.247 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.9 m -67.18 -41.76 85.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.536 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 78.4 mt -61.96 -38.35 88.19 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.809 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 51.3 t -69.35 -42.74 81.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -38.24 84.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.989 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -83.54 -7.99 59.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.249 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.31 30.57 66.95 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.553 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 61.0 mt -86.39 -32.42 20.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.915 0.388 . . . . 0.0 111.207 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.443 ' HA ' ' HE1' ' A' ' 45' ' ' PHE . 66.7 t -66.72 -30.91 51.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.315 0.578 . . . . 0.0 109.7 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -83.12 36.19 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.145 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -78.75 -1.13 33.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.041 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -80.85 59.89 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.532 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -128.75 145.97 51.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.694 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 42.9 tptt . . . . . 0 C--O 1.244 0.815 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.009 179.84 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' B' ' 86' ' ' ARG . 22.7 tt0 . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.97 0.414 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' B' ' 83' ' ' GLU . 30.5 mp0 -56.55 -40.98 76.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.574 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -60.86 -41.64 96.28 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.053 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.16 -48.08 89.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.409 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 37.8 mtp85 -62.76 -40.99 99.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.474 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.536 ' O ' HG23 ' B' ' 91' ' ' VAL . 32.6 tp10 -60.89 -48.76 80.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.705 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.01 74.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.137 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -67.97 -34.28 76.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.929 0.395 . . . . 0.0 111.495 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -66.51 -34.79 78.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.406 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 87' ' ' GLU . 64.3 t -69.07 -29.67 43.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.295 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -72.98 -25.81 61.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -85.57 158.69 20.07 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.49 ' HD2' ' HA3' ' A' ' 4' ' ' GLY . 59.6 mttt -128.45 -0.1 5.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.909 0.385 . . . . 0.0 111.399 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.95 -38.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.235 0.54 . . . . 0.0 110.256 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.38 57.19 0.72 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -117.18 -32.44 5.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.852 0.358 . . . . 0.0 110.69 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 88.51 15.26 60.39 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.172 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -96.98 116.31 28.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.697 0.284 . . . . 0.0 111.397 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.4 pt -139.13 157.67 28.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.147 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.99 172.37 9.17 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . 0.608 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -60.59 -34.84 74.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.0 -55.83 29.88 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.334 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.559 ' O ' HG23 ' B' ' 108' ' ' VAL . 2.3 mp0 -59.93 -50.48 73.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.696 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 24.1 tp -52.54 -50.92 61.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.955 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.517 ' HG3' HG11 ' B' ' 121' ' ' VAL . 13.0 ttt180 -60.22 -41.41 93.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.36 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -68.23 -36.58 79.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.758 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 104' ' ' GLU . 97.0 t -63.4 -48.59 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.693 0.282 . . . . 0.0 110.443 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 78.5 mtp -58.01 -41.35 82.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.804 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.91 -34.4 64.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.915 0.388 . . . . 0.0 111.397 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -74.82 -19.81 60.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 111.221 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.55 -18.6 62.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.251 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.4 -0.66 40.17 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.199 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -61.27 123.63 18.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.733 0.301 . . . . 0.0 110.676 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -91.57 33.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.623 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.535 HD11 HG22 ' B' ' 121' ' ' VAL . 2.1 pt? -79.44 148.22 32.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.191 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.85 154.79 41.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.159 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -35.78 79.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.281 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -65.85 -31.72 72.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.154 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.08 -44.77 91.36 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.535 HG22 HD11 ' B' ' 116' ' ' LEU . 4.0 t -64.87 -45.41 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.393 179.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -47.92 83.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.134 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -63.53 -39.73 95.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.58 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 70.7 mtm -68.89 -36.32 77.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.093 0.473 . . . . 0.0 110.389 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.797 HG23 HD12 ' B' ' 130' ' ' ILE . 31.2 mt -66.03 -31.96 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -75.99 -6.96 53.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.786 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -98.85 -1.74 39.48 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -115.7 160.78 19.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.058 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -82.99 59.41 4.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.604 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.797 HD12 HG23 ' B' ' 125' ' ' ILE . 44.8 mt -94.81 -54.01 7.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.322 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -73.65 124.27 25.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.057 0.456 . . . . 0.0 111.306 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.22 3.14 65.48 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.632 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.52 -72.89 0.66 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.603 0.24 . . . . 0.0 111.484 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 157.15 -104.98 0.26 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.236 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -104.74 155.18 19.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.728 0.299 . . . . 0.0 110.199 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' VAL . . . . . 0.498 HG11 HG12 ' B' ' 130' ' ' ILE . 16.3 m -127.65 173.39 13.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.162 0.506 . . . . 0.0 111.227 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . 0.502 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 20.8 p-10 -101.39 137.27 39.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.885 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' TYR . . . . . 0.482 ' O ' HG23 ' B' ' 142' ' ' VAL . 54.9 p90 -67.9 -17.14 64.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' B' ' 143' ' ' GLN . 10.1 mt-10 -55.19 -42.11 72.82 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.12 -49.54 76.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.961 0.41 . . . . 0.0 111.062 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -65.11 -30.96 71.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.99 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 138' ' ' TYR . 70.3 t -64.38 -44.39 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' B' ' 139' ' ' GLU . 83.3 mt-30 -66.06 -38.02 87.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.151 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 57.2 mtt -66.09 -46.42 77.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.467 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 62.2 mtm -60.89 -36.12 78.42 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.2 p -79.65 -5.31 54.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.173 0.511 . . . . 0.0 111.562 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -117.38 11.95 14.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.207 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 73.6 tttt . . . . . 0 C--O 1.248 1.011 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.84 -179.711 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -72.94 -8.2 21.9 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.043 2.495 . . . . 0.0 112.549 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.72 32.53 2.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.057 0.456 . . . . 0.0 110.534 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.61 112.18 0.6 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.564 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -29.21 70.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.025 0.44 . . . . 0.0 111.39 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.495 ' HB2' ' HB2' ' B' ' 94' ' ' LYS . 11.4 ttmm -65.04 -27.56 68.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.08 -36.62 83.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.05 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -62.63 -51.58 66.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.231 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 9' ' ' LEU . 18.8 mt -62.37 -36.68 83.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.2 tp -64.41 -46.6 82.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.434 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -61.17 -43.9 98.15 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.966 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -60.36 -52.86 63.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.79 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.4 m -67.51 -47.78 68.98 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -58.08 -37.01 73.67 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.16 90.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.018 0.437 . . . . 0.0 110.677 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.0 mtt -81.63 -22.67 37.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.329 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.5 m -64.24 -29.9 70.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.228 0.537 . . . . 0.0 110.64 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -67.94 -8.5 37.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.829 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.9 -3.49 59.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.962 0.41 . . . . 0.0 110.377 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -121.22 -174.62 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.761 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.08 150.25 50.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.509 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 69.35 8.45 6.8 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.724 0.64 . . . . 0.0 111.921 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.8 t -120.41 117.35 53.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -131.03 103.61 6.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.28 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.687 ' HA ' ' HB3' ' A' ' 31' ' ' SER . 72.1 mt -92.83 104.65 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.86 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -101.8 -34.46 9.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.857 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -148.75 165.54 31.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.391 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.451 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 77.1 m-85 -87.58 68.57 9.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.819 0.342 . . . . 0.0 110.823 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.3 p -167.01 -91.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.592 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -37.46 82.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.191 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.687 ' HB3' ' HA ' ' A' ' 25' ' ' ILE . 12.2 m -69.16 -10.85 59.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.042 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.451 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 74.4 m95 -106.74 -3.65 20.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.149 -0.221 . . . . 0.0 111.503 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.8 m -67.87 -15.14 63.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.166 0.508 . . . . 0.0 111.235 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -20.41 58.5 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.69 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.29 -44.36 2.41 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.356 -0.449 . . . . 0.0 112.858 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.6 mmm -50.59 -31.75 16.79 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.477 0.711 . . . . 0.0 112.481 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.28 -38.69 71.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -66.27 -52.11 50.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.024 0.44 . . . . 0.0 110.738 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 66.6 m -64.57 -32.97 74.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.617 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.18 87.64 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 110.672 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.3 tp -64.3 -48.29 76.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.572 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.1 mm -60.07 -41.42 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.006 0.431 . . . . 0.0 110.839 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -64.79 -21.79 66.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.533 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -34.56 64.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.732 0.301 . . . . 0.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.506 ' HB3' HD13 ' A' ' 113' ' ' LEU . 62.8 m-85 -92.97 -39.58 11.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -120.79 83.21 35.91 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.515 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -73.33 -15.43 25.21 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.674 2.25 . . . . 0.0 111.436 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -87.29 -2.36 58.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.009 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.596 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -72.24 -66.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.65 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -151.37 162.37 41.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.504 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -84.57 125.97 32.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.373 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.404 ' HA ' HD12 ' A' ' 55' ' ' LEU . 65.0 t80 -74.38 -29.7 61.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.752 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.11 -21.07 60.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.762 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -88.82 2.31 53.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.91 0.386 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 52' ' ' TYR . 80.2 mt -92.88 102.02 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.098 0.475 . . . . 0.0 110.376 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.823 ' H ' ' HD2' ' A' ' 59' ' ' LYS . 4.0 m-20 -88.23 152.44 50.29 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.523 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 15.8 Cg_endo -59.57 -24.01 73.4 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.047 2.498 . . . . 0.0 112.311 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.16 -11.25 58.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.044 0.45 . . . . 0.0 110.768 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.823 ' HD2' ' H ' ' A' ' 56' ' ' ASP . 82.2 mttt -97.8 23.76 7.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.114 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 57' ' ' PRO . 46.5 mtm180 -55.26 -40.89 71.51 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -62.73 -45.47 92.56 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -70.42 -30.9 67.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.245 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -59.91 -51.9 67.74 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.825 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.478 ' HB2' HG13 ' A' ' 83' ' ' VAL . 37.6 m-85 -58.65 -45.5 89.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.876 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -62.82 -43.72 98.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.51 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 tp -59.59 -49.56 77.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.969 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -56.49 -52.07 66.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.96 -179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -67.15 -54.85 17.4 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.7 m -60.3 -39.48 87.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.596 HG21 ' HB1' ' A' ' 49' ' ' ALA . 9.1 m -72.85 -43.52 62.51 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.295 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.25 93.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.309 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.96 -37.56 86.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.309 0.576 . . . . 0.0 110.185 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -71.97 -29.15 63.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.567 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -92.38 -50.82 5.44 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.86 19.5 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 40.02 62.77 1.19 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 23.3 p -75.43 146.94 40.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.718 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.09 114.58 8.39 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -72.27 78.42 0.99 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.261 0.553 . . . . 0.0 111.23 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.6 mt -91.71 10.88 26.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 mt -142.06 138.06 31.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.6 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -107.38 138.49 43.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.081 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.478 HG13 ' HB2' ' A' ' 64' ' ' PHE . 47.0 t -57.73 -58.33 6.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.376 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.64 -47.27 70.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.96 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.79 -45.24 93.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.694 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 82.1 mtp -65.31 -39.11 92.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' VAL . 87.4 t -69.22 -36.69 73.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.085 0.469 . . . . 0.0 109.995 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -67.21 -48.64 67.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.517 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.7 mt -78.05 -33.66 50.85 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 75.06 -50.36 0.66 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.523 0.729 . . . . 0.0 111.626 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 43.7 t -101.35 109.27 58.38 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 6.1 Cg_exo -75.26 173.93 13.66 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.847 2.364 . . . . 0.0 111.259 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.515 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 16.1 t70 -94.6 144.72 25.37 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.971 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m -63.4 -35.71 81.3 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -68.55 -38.94 81.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.946 0.403 . . . . 0.0 110.702 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 27.5 m -65.6 -48.14 73.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.01 -43.09 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -56.18 -48.52 76.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.4 m -68.04 -37.55 81.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.723 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.24 -46.53 86.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.051 0.453 . . . . 0.0 110.673 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 51.2 mm -71.66 -31.18 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.137 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -55.91 -58.29 8.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.961 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.92 -34.63 78.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.477 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 37.5 tp -61.86 -45.77 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.994 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.643 ' HE1' HG11 ' A' ' 114' ' ' VAL . 42.3 t80 -59.11 -46.58 87.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.851 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -57.61 -40.94 80.27 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.194 0.521 . . . . 0.0 110.99 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 m -67.54 -26.32 66.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.803 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 28.7 mt -88.57 -21.09 24.25 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 105' ' ' TYR . 68.8 t -64.49 -56.4 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.541 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.64 -16.59 63.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.884 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -87.7 -13.87 41.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.97 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 77.62 8.84 87.16 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.995 -0.621 . . . . 0.0 113.052 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.506 HD13 ' HB3' ' A' ' 45' ' ' PHE . 75.5 mt -72.23 -35.38 68.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 110.991 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.643 HG11 ' HE1' ' A' ' 105' ' ' TYR . 46.4 t -75.07 -27.27 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.358 0.599 . . . . 0.0 109.932 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -83.69 61.33 6.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.229 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.55 6.61 33.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.727 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -152.39 132.19 13.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.677 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -136.56 110.47 8.21 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.892 -179.352 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.762 0.315 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' B' ' 83' ' ' GLU . 40.0 mp0 -58.46 -49.68 76.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.702 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -58.29 -39.4 79.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.629 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 49.5 mt -63.1 -48.08 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.975 0.417 . . . . 0.0 109.935 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.764 ' HG2' ' HE2' ' B' ' 138' ' ' TYR . 62.2 mtp180 -69.84 -33.14 71.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.057 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.461 ' O ' HG23 ' B' ' 91' ' ' VAL . 3.1 tp10 -63.66 -38.93 92.99 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.09 95.72 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.025 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -68.33 -34.6 76.41 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -66.38 -23.89 66.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.444 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 87' ' ' GLU . 96.5 t -64.75 -33.21 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -76.42 -42.2 44.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.556 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -62.46 152.03 35.59 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -124.39 -0.83 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -134.21 -13.26 2.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.58 53.69 3.73 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -107.47 -31.35 8.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.892 0.377 . . . . 0.0 110.799 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 87.44 11.92 68.12 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.783 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -116.43 121.95 43.37 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.937 0.399 . . . . 0.0 111.073 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.2 pt -136.07 -173.95 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.685 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 60.6 p -106.0 172.19 6.94 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . 0.757 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -67.81 -29.55 68.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.156 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.98 -51.88 66.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.195 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.511 ' O ' HG23 ' B' ' 108' ' ' VAL . 4.0 mp0 -67.31 -41.28 85.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.007 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.41 -54.11 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.081 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -70.14 -6.16 32.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -96.6 -13.48 22.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.201 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 104' ' ' GLU . 60.4 t -78.19 -56.45 7.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.4 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -56.04 -38.76 70.99 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.414 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.35 -35.25 75.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.071 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -77.81 -27.42 50.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.952 0.406 . . . . 0.0 110.752 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.24 -25.42 62.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.254 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.99 10.0 50.46 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.541 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.79 128.44 36.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.297 . . . . 0.0 110.965 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -76.43 66.64 2.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.669 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.439 HD23 HG22 ' B' ' 121' ' ' VAL . 15.1 tp -113.8 125.46 54.11 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.031 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . 0.427 ' O ' HG23 ' B' ' 121' ' ' VAL . 10.7 p -70.3 148.42 48.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -60.09 -25.88 65.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.082 0.467 . . . . 0.0 110.297 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.09 -48.26 79.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.049 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -67.75 -38.21 83.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.554 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.439 HG22 HD23 ' B' ' 116' ' ' LEU . 57.5 t -61.54 -45.31 98.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -33.87 76.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.977 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.41 -44.21 79.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.135 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 67.5 mtt -63.82 -43.3 96.65 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.257 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.765 HG23 HD12 ' B' ' 130' ' ' ILE . 38.3 mt -61.83 -31.41 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.993 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -28.23 39.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.548 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -69.97 -41.58 74.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.392 . . . . 0.0 110.191 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.42 154.18 22.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.453 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -78.25 85.37 4.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.348 0.594 . . . . 0.0 111.343 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.913 HG12 HG11 ' B' ' 136' ' ' VAL . 27.3 mt -107.37 -57.64 4.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.766 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.33 125.2 25.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.856 0.36 . . . . 0.0 110.7 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.06 -22.91 30.39 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.385 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -91.47 -79.22 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.205 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . 130.08 -34.38 2.74 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.019 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -134.21 122.17 22.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.959 0.379 . . . . 0.0 111.045 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' VAL . . . . . 0.913 HG11 HG12 ' B' ' 130' ' ' ILE . 9.7 m -118.28 136.25 56.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.29 0.567 . . . . 0.0 112.301 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 0.3 OUTLIER -82.01 127.6 33.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.98 179.398 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' TYR . . . . . 0.764 ' HE2' ' HG2' ' B' ' 86' ' ' ARG . 29.4 p90 -67.91 -16.53 64.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.095 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -47.95 -56.56 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -54.22 -41.66 68.92 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -66.76 -39.45 87.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.857 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.38 -48.39 81.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.403 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -59.78 -41.78 91.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.764 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 1.4 ttm -59.59 -44.74 93.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.199 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 67.2 mtm -63.35 -43.47 97.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.376 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 4.4 m -68.99 -17.41 63.92 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.022 0.439 . . . . 0.0 111.335 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.22 -7.4 48.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.07 0.462 . . . . 0.0 111.019 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.142 179.899 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.873 0 N-CA-C 111.915 -0.474 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -62.08 -25.32 77.33 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.144 2.563 . . . . 0.0 112.712 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.4 mt -100.85 16.63 24.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.056 0.455 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.0 108.75 1.69 Allowed Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.987 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.492 ' H ' ' HZ2' ' B' ' 94' ' ' LYS . 0.9 OUTLIER -63.17 -35.16 79.38 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 122.594 0.357 . . . . 0.0 111.383 -179.265 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -64.29 -36.99 85.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.916 0.389 . . . . 0.0 110.481 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -75.32 -32.64 61.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -58.52 -51.71 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.927 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.8 mt -68.38 -34.79 76.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.452 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.6 tp -60.94 -49.41 77.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.649 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -62.61 -42.69 99.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.97 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -56.54 -49.87 73.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.077 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.8 m -70.89 -37.0 72.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.671 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -58.46 -35.14 71.7 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.56 -37.32 85.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.114 0.483 . . . . 0.0 110.622 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.1 mtt -77.72 -25.62 49.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.725 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -65.17 -26.35 68.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.134 0.492 . . . . 0.0 110.473 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -73.87 -3.85 31.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.77 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -102.19 -11.22 18.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.381 . . . . 0.0 111.405 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -104.4 -175.01 2.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.415 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -135.28 143.82 46.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.669 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 68.03 19.06 9.4 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.651 0.594 . . . . 0.0 111.395 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.4 t -125.83 126.25 69.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.32 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -140.97 114.44 8.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.791 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.608 ' HA ' ' HB3' ' A' ' 31' ' ' SER . 66.2 mt -99.25 111.89 30.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.849 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -95.25 -42.28 8.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.434 0.635 . . . . 0.0 109.429 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -157.35 -176.74 6.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.609 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.44 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 72.0 m-85 -90.8 56.69 3.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.857 0.361 . . . . 0.0 110.677 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 p -151.93 -94.53 0.05 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -35.22 70.29 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -178.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.608 ' HB3' ' HA ' ' A' ' 25' ' ' ILE . 1.0 OUTLIER -66.78 -14.26 62.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.909 0.385 . . . . 0.0 111.887 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.72 ' HB2' ' HG2' ' A' ' 92' ' ' PRO . 33.0 m95 -107.65 4.1 25.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.416 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.0 m -72.44 -15.72 61.82 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.029 0.442 . . . . 0.0 111.174 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -16.47 31.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.83 -36.93 2.66 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.22 -0.515 . . . . 0.0 112.749 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 mmt -46.68 -37.67 8.68 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.07 -34.81 61.08 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -69.1 -53.79 18.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.843 0.354 . . . . 0.0 110.681 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 m -62.83 -33.07 74.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.795 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.78 -46.05 92.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.554 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.63 -45.69 78.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.695 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.7 mm -62.48 -43.23 98.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.029 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -63.17 -30.49 71.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.652 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -68.47 -41.55 79.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.022 0.439 . . . . 0.0 110.661 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -84.23 -35.5 23.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.984 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -121.99 93.49 48.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 120.837 0.351 . . . . 0.0 111.487 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -72.72 -13.66 27.01 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.904 2.402 . . . . 0.0 110.935 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -93.65 -1.85 54.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.887 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.735 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -68.08 -61.08 2.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.855 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -165.9 164.7 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.531 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -88.85 113.76 24.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -65.94 -24.44 66.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.463 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.22 -21.33 61.41 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -94.9 4.37 53.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.43 0.633 . . . . 0.0 110.79 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -93.15 125.63 37.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.918 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.524 ' H ' ' HD2' ' A' ' 59' ' ' LYS . 8.2 m-20 -116.24 150.37 45.16 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.363 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.82 -22.54 74.56 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.018 2.478 . . . . 0.0 111.98 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.68 -21.18 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.391 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.524 ' HD2' ' H ' ' A' ' 56' ' ' ASP . 67.5 mttt -98.11 50.95 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -62.27 -47.16 85.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.998 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -61.85 -44.56 96.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.133 0.492 . . . . 0.0 110.205 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -35.14 79.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.77 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -60.08 -50.11 75.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.444 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.46 ' HB2' HG13 ' A' ' 83' ' ' VAL . 45.0 m-85 -63.4 -44.19 95.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.578 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.2 m -60.36 -53.57 55.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.739 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.6 tp -56.39 -46.81 79.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.539 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.05 -55.94 28.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.76 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -60.82 -49.72 76.34 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.0 m -59.92 -43.04 95.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.735 HG21 ' HB1' ' A' ' 49' ' ' ALA . 22.5 m -68.71 -40.29 80.03 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.15 77.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.902 0.382 . . . . 0.0 110.314 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -74.13 -42.02 60.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.371 0.605 . . . . 0.0 110.217 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.47 -43.96 62.98 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.9 mt -96.48 -28.02 14.61 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.12 0.13 12.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 45.26 43.05 7.76 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 16.6 p -85.51 153.54 22.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.076 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.53 145.55 39.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.894 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -103.22 89.86 3.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.803 0.335 . . . . 0.0 111.452 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.83 -12.97 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.355 0.598 . . . . 0.0 110.654 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.6 mt -122.03 140.27 52.69 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -111.96 142.28 44.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.131 0.491 . . . . 0.0 111.66 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.46 HG13 ' HB2' ' A' ' 64' ' ' PHE . 40.1 t -52.37 -49.39 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.137 -179.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -38.18 78.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -33.74 32.96 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.133 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.4 mtp -65.12 -45.75 83.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.693 0.282 . . . . 0.0 111.697 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 83' ' ' VAL . 39.3 t -69.0 -25.42 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.234 0.54 . . . . 0.0 110.626 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 88' ' ' ARG . 34.3 ttp180 -81.86 -49.44 10.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.694 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 70.5 mt -71.41 -39.78 70.9 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.448 ' O ' ' HD3' ' A' ' 92' ' ' PRO . . . 74.61 -44.22 0.55 Allowed 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.737 0.648 . . . . 0.0 112.397 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.43 106.34 35.41 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.72 ' HG2' ' HB2' ' A' ' 32' ' ' TRP . 11.6 Cg_exo -72.19 157.96 52.9 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.069 2.513 . . . . 0.0 112.521 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.81 132.42 33.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.573 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.6 m -57.51 -38.1 74.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.419 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.417 ' HA ' ' OD1' ' B' ' 95' ' ' ASP . 56.6 tttp -71.43 -50.8 28.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.935 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 85.8 m -56.84 -45.38 82.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.199 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.4 ' O ' HG12 ' A' ' 101' ' ' ILE . 91.4 t -64.71 -42.93 96.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.982 0.42 . . . . 0.0 109.968 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.44 -48.83 79.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.5 m -60.01 -36.12 76.53 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 111.188 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -65.7 -49.49 68.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.119 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 97' ' ' VAL . 48.3 mm -66.93 -32.59 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.033 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -57.85 -56.73 18.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.187 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.29 -36.12 82.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 58.2 tp -64.0 -42.44 97.18 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.51 ' O ' HG23 ' A' ' 109' ' ' VAL . 67.2 t80 -58.75 -42.52 89.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.846 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.867 ' HD2' ' HE2' ' B' ' 99' ' ' TYR . 32.6 mtp180 -56.66 -51.5 68.49 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.983 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.0 m -62.19 -41.82 98.71 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.071 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.454 ' HB3' HG23 ' A' ' 114' ' ' VAL . 96.3 mt -63.38 -36.86 85.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.382 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 105' ' ' TYR . 92.3 t -73.79 -46.21 47.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.244 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -66.07 -27.63 68.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.903 0.382 . . . . 0.0 111.942 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -87.51 3.6 46.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.982 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 63.68 31.81 82.04 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.958 -0.564 . . . . 0.0 113.516 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.42 -33.76 13.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.857 0.36 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.454 HG23 ' HB3' ' A' ' 108' ' ' LEU . 53.3 t -69.61 -31.66 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.24 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -82.98 53.06 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.816 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -25.15 58.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.347 0.594 . . . . 0.0 110.073 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -126.64 111.88 14.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.818 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -113.92 117.41 31.31 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt . . . . . 0 C--O 1.253 1.265 0 CA-C-O 117.853 -1.07 . . . . 0.0 110.556 -178.863 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.56 -31.82 68.34 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.141 0.496 . . . . 0.0 110.343 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 40.1 mp0 -60.53 -32.53 71.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.482 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.69 -41.53 13.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.1 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 86' ' ' ARG . 16.3 ttp85 -59.91 -46.79 88.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.939 -179.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.537 ' O ' HG23 ' B' ' 91' ' ' VAL . 35.3 mt-10 -64.46 -41.48 96.49 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.59 91.68 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.627 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -65.81 -36.1 82.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.663 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 33.7 ttt-85 -69.53 -24.57 63.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 87' ' ' GLU . 84.4 t -66.38 -25.17 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.324 0.583 . . . . 0.0 109.678 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -82.47 -21.42 35.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.3 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -75.35 118.59 18.41 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.492 ' HZ2' ' H ' ' A' ' 5' ' ' SER . 11.2 mttt -102.17 3.39 38.37 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -177.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.417 ' OD1' ' HA ' ' A' ' 95' ' ' LYS . 1.2 m-20 -129.92 -30.29 2.03 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.551 -0.46 . . . . 0.0 112.236 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.56 73.72 1.23 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.05 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -156.61 -14.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.65 0.262 . . . . 0.0 111.678 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . 0.592 ' HA2' ' HE2' ' B' ' 138' ' ' TYR . . . 89.9 9.1 66.38 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.869 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' TYR . . . . . 0.867 ' HE2' ' HD2' ' A' ' 106' ' ' ARG . 22.5 m-85 -102.17 126.54 49.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.408 -0.396 . . . . 0.0 110.509 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 16.4 pt -133.68 176.92 7.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.147 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.09 159.06 16.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.141 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.95 -20.37 65.88 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.97 -58.54 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.856 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.619 ' O ' HG23 ' B' ' 108' ' ' VAL . 3.5 mp0 -68.84 -31.2 69.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 43.0 tp -52.54 -51.87 57.59 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.391 0.432 . . . . 0.0 111.778 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -68.56 -25.78 65.07 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.999 0.428 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -76.1 -25.39 55.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.081 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.619 HG23 ' O ' ' B' ' 104' ' ' GLU . 55.3 t -66.72 -47.26 83.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 72.9 mtp -62.19 -39.82 94.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.395 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.29 -38.39 68.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.153 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.15 -37.76 81.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.23 -21.49 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.047 0.451 . . . . 0.0 110.91 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.96 36.67 7.6 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.332 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.462 ' HA ' ' OE1' ' B' ' 114' ' ' GLU . 3.7 mm-40 -71.07 146.79 49.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.7 0.286 . . . . 0.0 110.365 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -95.75 14.98 21.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.101 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 tp -76.33 133.51 39.96 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . 0.403 ' O ' HG23 ' B' ' 121' ' ' VAL . 54.4 p -69.55 155.93 39.7 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.785 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.77 -31.58 69.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.075 0.464 . . . . 0.0 110.051 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.582 ' O ' ' HG3' ' B' ' 123' ' ' GLU . 42.9 mm-40 -65.69 -46.61 78.37 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.905 178.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -60.5 -38.31 83.92 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.802 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 117' ' ' THR . 57.5 t -62.95 -46.73 95.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -36.22 82.86 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.188 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 47.0 mt-10 -60.64 -44.46 96.37 Favored 'General case' 0 N--CA 1.458 -0.068 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.936 178.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 50.5 mtt -66.07 -39.1 89.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.778 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.872 HG23 HD12 ' B' ' 130' ' ' ILE . 67.2 mt -57.85 -40.98 78.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.123 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -76.67 -17.69 58.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.976 -0.557 . . . . 0.0 112.014 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' B' ' 123' ' ' GLU . 77.1 mm-40 -82.97 -36.92 24.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.064 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.9 -165.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.566 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -112.73 108.79 17.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.237 0.541 . . . . 0.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.872 HD12 HG23 ' B' ' 125' ' ' ILE . 52.1 mt -134.8 -72.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.606 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -71.04 130.57 41.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.062 0.458 . . . . 0.0 110.283 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . 0.433 ' HA2' HG12 ' A' ' 109' ' ' VAL . . . 82.32 6.91 88.31 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.753 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.05 -13.21 9.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.88 0.371 . . . . 0.0 111.592 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' GLY . . . . . 0.64 ' HA3' ' HA ' ' A' ' 106' ' ' ARG . . . 99.83 -95.11 1.44 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.558 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . 0.412 ' HB2' ' HD2' ' B' ' 99' ' ' TYR . 15.1 mm100 -110.52 167.62 10.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -112.31 148.6 15.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.366 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -107.11 150.58 26.41 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' TYR . . . . . 0.592 ' HE2' ' HA2' ' B' ' 98' ' ' GLY . 25.2 p90 -93.11 -14.43 27.26 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.75 -47.4 84.79 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -63.22 -40.92 98.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.926 0.393 . . . . 0.0 111.045 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -66.39 -42.95 87.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.243 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 77.0 t -61.36 -47.01 95.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.695 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -58.72 -43.09 90.05 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.061 0.458 . . . . 0.0 110.61 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 47.1 ttp -65.01 -36.72 85.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 25.7 ttm -69.7 -42.02 74.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.463 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 2.9 p -72.78 -34.63 67.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.88 0.371 . . . . 0.0 111.905 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.83 75.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.569 -179.839 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.007 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -81.55 35.95 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.772 2.315 . . . . 0.0 112.093 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -124.99 23.47 7.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.065 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' B' ' 92' ' ' PHE . . . -154.81 138.12 5.99 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.682 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 p -68.8 -32.46 72.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.184 0.516 . . . . 0.0 110.985 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -62.78 -31.86 72.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.638 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -61.42 -36.36 80.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.757 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.8 ttt -58.95 -52.1 67.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.652 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.47 -34.65 74.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.895 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.5 tp -60.1 -55.61 31.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.887 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -63.97 -36.52 84.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.802 0.334 . . . . 0.0 111.044 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -56.63 -51.56 68.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.761 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.8 m -75.18 -34.92 61.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.574 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.16 -39.67 72.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.303 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.542 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . . . -58.08 -46.73 84.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.887 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.6 ptp -78.93 -11.28 60.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.505 HG21 ' H ' ' A' ' 25' ' ' ILE . 23.9 m -70.44 -23.8 62.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.27 0.557 . . . . 0.0 109.858 179.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.542 ' NH1' ' HA ' ' A' ' 15' ' ' ALA . 33.0 mtt180 -80.7 -5.47 57.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.156 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -97.84 -18.4 18.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -104.9 158.98 16.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.279 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -114.21 150.13 34.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.247 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 71.21 17.15 6.07 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.607 0.567 . . . . 0.0 111.444 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -130.93 133.54 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.835 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -145.31 91.97 2.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.051 0.453 . . . . 0.0 110.51 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.505 ' H ' HG21 ' A' ' 17' ' ' THR . 61.8 mt -80.12 95.05 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.306 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -92.02 -41.93 10.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.389 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -150.96 152.21 33.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.672 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.552 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 67.2 m-85 -75.21 66.89 1.77 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.806 0.336 . . . . 0.0 111.618 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -166.1 -81.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.046 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.78 -30.03 66.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.509 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.408 ' HB3' ' HA ' ' A' ' 25' ' ' ILE . 2.1 m -82.65 -1.75 52.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.552 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 34.2 m95 -114.18 3.01 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.564 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -74.38 -14.87 60.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.193 0.52 . . . . 0.0 110.357 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -23.29 60.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.09 -44.83 2.89 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.019 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 78.0 mmm -50.06 -29.52 9.02 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.303 0.641 . . . . 0.0 112.681 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.33 -36.37 66.19 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -63.43 -53.18 56.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.948 0.404 . . . . 0.0 111.006 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 55.9 m -63.99 -34.89 79.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.458 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.01 98.04 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 110.576 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.51 -48.79 73.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.717 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.8 mm -61.8 -37.36 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.025 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -61.06 -26.16 67.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.098 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -72.68 -20.44 61.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.02 0.438 . . . . 0.0 111.417 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -108.44 -42.75 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.513 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -115.37 96.11 44.82 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.658 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.58 -36.68 10.82 Favored 'Trans proline' 0 CA--C 1.526 0.12 0 C-N-CA 122.568 2.179 . . . . 0.0 110.889 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -87.94 30.3 0.86 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.389 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.827 ' HB1' HG21 ' A' ' 70' ' ' THR . . . -92.06 -49.04 6.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.387 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -167.69 172.7 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.634 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -98.19 115.8 29.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.783 0.325 . . . . 0.0 110.428 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.494 ' HA ' HD12 ' A' ' 55' ' ' LEU . 82.5 t80 -72.73 -27.61 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.852 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.32 -19.41 60.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.046 0.45 . . . . 0.0 110.27 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -91.12 -6.86 53.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.896 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 52' ' ' TYR . 84.0 mt -84.59 118.75 24.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.009 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.582 ' H ' ' HD2' ' A' ' 59' ' ' LYS . 1.4 m-20 -99.14 153.16 37.93 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.173 -179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -64.54 -20.79 66.03 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.518 2.145 . . . . 0.0 110.662 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.3 1.78 56.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.475 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HD2' ' H ' ' A' ' 56' ' ' ASP . 78.5 mttt -107.7 29.01 7.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.214 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 60' ' ' ARG . 39.1 mtm180 -59.03 -38.97 80.52 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.774 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -34.86 77.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.001 0.429 . . . . 0.0 110.393 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -82.69 -34.1 27.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.399 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -57.59 -49.58 75.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.812 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.639 ' HB2' HG13 ' A' ' 83' ' ' VAL . 31.1 m-85 -58.61 -54.24 49.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.076 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.513 HG23 HG21 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -61.6 -40.14 93.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.512 -179.755 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.51 -50.74 71.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.524 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.422 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -62.01 -50.15 73.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.222 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -58.93 -54.51 46.29 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -60.92 -38.1 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.827 HG21 ' HB1' ' A' ' 49' ' ' ALA . 38.2 m -69.46 -42.68 74.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.217 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.41 -39.74 89.17 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.516 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 76' ' ' ASP . 4.0 tm-20 -71.95 -21.18 61.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.082 0.467 . . . . 0.0 110.799 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -87.79 -48.44 7.83 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.0 mt -90.24 -45.12 9.28 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.736 ' HA ' ' HE3' ' A' ' 111' ' ' LYS . . . -95.23 -5.3 44.1 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 72' ' ' GLU . 4.6 p-10 42.97 50.67 5.32 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.1 p -78.74 172.71 13.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.462 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.7 125.42 40.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.756 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.401 ' HB2' HE21 ' A' ' 79' ' ' GLN . 13.7 mt-30 -74.64 82.26 2.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.9 mt -86.68 -4.44 59.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.79 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.44 152.06 51.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.834 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -114.01 146.88 39.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.101 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.639 HG13 ' HB2' ' A' ' 64' ' ' PHE . 56.8 t -63.42 -51.96 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.243 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.67 -42.65 83.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.79 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.36 -46.9 78.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.664 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 58.1 mtp -62.08 -37.61 85.71 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.8 t -72.85 -37.15 53.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.274 0.559 . . . . 0.0 110.049 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 88' ' ' ARG . 39.5 ttp180 -69.33 -46.45 67.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.582 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.36 -33.44 42.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.812 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 74.91 -51.52 0.67 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.347 0.659 . . . . 0.0 112.054 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.1 t -101.89 107.06 50.66 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.72 158.92 52.22 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.358 2.038 . . . . 0.0 111.773 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.469 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . 26.7 t70 -84.83 130.03 34.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 m -55.49 -45.08 77.05 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -62.97 -36.22 82.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.85 0.357 . . . . 0.0 111.076 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 93' ' ' ASP . 60.5 m -69.29 -43.16 74.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.95 0.405 . . . . 0.0 110.543 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 101' ' ' ILE . 59.1 t -68.45 -37.25 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.56 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -53.33 -51.68 61.63 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.326 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 m -66.63 -34.62 78.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.516 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -63.2 -50.26 70.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 109.996 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 97' ' ' VAL . 46.1 mm -65.46 -37.79 80.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.868 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 41.4 tt0 -58.44 -47.44 83.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.455 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -69.67 -45.32 68.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.767 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.1 tp -56.93 -42.22 79.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.476 ' O ' HG23 ' A' ' 109' ' ' VAL . 72.9 t80 -57.27 -42.67 82.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.717 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 58.1 mtp180 -59.7 -47.49 85.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.534 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.588 ' HA ' HE21 ' A' ' 110' ' ' GLN . 1.7 m -61.56 -41.86 98.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.24 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.8 mt -67.87 -25.81 65.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.476 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 105' ' ' TYR . 42.6 t -73.73 -54.4 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.851 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.588 HE21 ' HA ' ' A' ' 107' ' ' SER . 10.4 pt20 -65.4 -25.6 67.62 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.736 ' HE3' ' HA ' ' A' ' 75' ' ' ALA . 50.0 mttm -82.53 -7.43 59.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.793 0.33 . . . . 0.0 110.972 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.49 48.93 33.87 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.8 mt -117.25 -30.57 5.57 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.56 -44.94 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 111.184 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -81.73 64.43 6.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.1 0.476 . . . . 0.0 110.654 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.28 -20.49 57.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.304 0.573 . . . . 0.0 109.946 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -134.93 118.54 17.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.384 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -112.17 115.44 28.85 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.987 -178.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.458 ' HG3' HG21 ' B' ' 146' ' ' THR . 11.6 tt0 . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.73 -37.8 74.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.828 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -62.03 -42.28 99.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.95 0.405 . . . . 0.0 110.017 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 67.6 mt -64.98 -46.01 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.024 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 60.6 mtp85 -60.71 -45.58 93.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.515 ' O ' HG23 ' B' ' 91' ' ' VAL . 12.7 tp10 -66.25 -39.99 89.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.02 -48.16 70.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.897 0.38 . . . . 0.0 111.231 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -73.51 -31.37 63.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.081 0.467 . . . . 0.0 110.529 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -65.99 -33.15 75.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.021 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 87' ' ' GLU . 55.6 t -61.42 -35.68 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.954 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . 0.529 ' O ' ' HA2' ' A' ' 4' ' ' GLY . 20.4 m-85 -72.62 -29.17 63.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.254 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -81.3 120.21 24.64 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -101.72 5.17 41.23 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.49 -12.78 3.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.87 55.71 4.78 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.609 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -107.81 -35.39 6.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.937 0.399 . . . . 0.0 110.549 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' B' ' 137' ' ' ASN . . . 97.72 -9.71 64.27 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.718 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -107.3 120.22 41.53 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.866 0.365 . . . . 0.0 110.655 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 21.1 pt -124.69 173.95 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.099 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 25.8 p -86.93 160.98 18.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . 0.472 ' HB2' HG21 ' B' ' 130' ' ' ILE . . . -64.67 -30.44 71.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.62 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.38 -51.1 62.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.014 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.593 ' O ' HG23 ' B' ' 108' ' ' VAL . 3.3 mp0 -64.63 -45.59 86.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.615 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.76 -51.25 69.63 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.942 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.584 ' HG3' HG11 ' B' ' 121' ' ' VAL . 21.1 ttt180 -61.37 -31.93 71.84 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.065 0.46 . . . . 0.0 110.481 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -72.49 -37.28 68.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.631 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 104' ' ' GLU . 48.0 t -62.5 -46.19 96.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.541 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' MET . . . . . . . . . . . . . 87.7 mtp -56.6 -42.81 79.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.428 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.03 -38.76 56.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.658 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -65.05 -23.45 67.18 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.652 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 31.9 mt -78.55 -10.65 59.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.673 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.38 15.15 74.75 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.233 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -64.44 127.21 30.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.684 0.278 . . . . 0.0 110.622 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -78.75 82.43 4.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.467 ' HG ' ' HB2' ' B' ' 120' ' ' GLU . 11.4 tp -134.61 127.98 32.28 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.613 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.18 153.45 37.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.781 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -39.48 79.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.78 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -62.5 -36.23 81.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.945 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.467 ' HB2' ' HG ' ' B' ' 116' ' ' LEU . 66.5 mm-40 -60.68 -48.32 82.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.068 0.461 . . . . 0.0 109.83 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.584 HG11 ' HG3' ' B' ' 106' ' ' ARG . 26.3 t -64.5 -43.88 96.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.125 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -41.94 95.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.482 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' B' ' 127' ' ' GLU . 72.6 mt-10 -63.29 -42.86 99.11 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.731 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 60.1 mtt -63.37 -38.31 90.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.948 0.404 . . . . 0.0 110.18 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.582 HG23 HD12 ' B' ' 130' ' ' ILE . 81.7 mt -63.22 -35.85 73.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.167 0.508 . . . . 0.0 109.927 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -71.14 -17.06 62.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.533 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 123' ' ' GLU . 11.8 mt-10 -95.68 -22.66 17.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 111.195 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.48 156.18 18.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.012 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -80.17 50.39 1.23 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.028 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.905 HG12 HG21 ' B' ' 136' ' ' VAL . 61.1 mt -83.18 -49.38 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.262 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -74.82 126.68 31.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.917 0.389 . . . . 0.0 110.734 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.91 -0.45 55.11 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -125.34 -174.39 3.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.558 -0.321 . . . . 0.0 110.472 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -104.46 -60.5 0.67 Allowed Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.085 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -129.01 155.79 44.83 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' VAL . . . . . 0.905 HG21 HG12 ' B' ' 130' ' ' ILE . 11.4 t -127.59 146.86 32.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' B' ' 98' ' ' GLY . 24.2 p-10 -78.86 135.73 37.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.167 0.508 . . . . 0.0 111.243 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' TYR . . . . . 0.417 ' O ' HG23 ' B' ' 142' ' ' VAL . 38.8 p90 -79.27 -9.76 59.65 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.19 -54.91 37.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.885 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -56.03 -40.64 73.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -65.04 -46.24 82.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.713 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 138' ' ' TYR . 86.7 t -61.58 -42.37 93.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.249 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -64.95 -45.46 85.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.215 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' MET . . . . . . . . . . . . . 59.4 mtm -63.88 -39.96 95.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.985 0.422 . . . . 0.0 111.494 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 145' ' ' MET . . . . . . . . . . . . . 57.6 mtm -66.4 -33.11 74.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.8 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . 0.458 HG21 ' HG3' ' B' ' 82' ' ' GLU . 1.3 p -83.06 -13.5 55.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.996 0.427 . . . . 0.0 111.483 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -82.64 -23.12 34.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.351 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.573 -0.727 . . . . 0.0 110.287 179.972 . . . . . . . . 0 0 . 1 stop_ save_